SCHEMBL3454590

SCHEMBL3454590

C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=O)n(C)c4)n(C)c3)n(C)c2)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.50
ESR1 P03372 13/20 0.50
ESR2 Q92731 13/20 0.50
TOP1 P11387 2/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6780841 1.00 HRAS (0.50) HRASESR1ESR2TOP1KDM4E
SCHEMBL7503370 0.93 HRAS (0.61) HRASESR1ESR2TOP1KDM4E
SCHEMBL3685005 0.93 HRAS (0.61) HRASESR1ESR2TOP1KDM4E
SCHEMBL7498136 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7504933 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7507423 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7501006 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL3454819 0.92 KDM4E (0.61) HRASESR1ESR2TOP1KDM4E
SCHEMBL7510696 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7506162 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889624-B1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES SRL (IT) 2010-12-15 EP claimed
US-7642229-B2 Pharmaceutical composition and a product which includes a substituted acryloyl distamycin derivative, an antimicrotubule agent and/or an antimetabolite NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-05 US claimed
US-20090074757-A1 Antitumor Combination Comprising Substituted Acryloyl Distamycin Derivatives and Antibodies Inhibiting Growth Factors or Their Receptors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-03-19 US claimed
EP-1299110-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIMETABOLITES NERVIANO MEDICAL SCIENCES SRL (IT) 2008-11-26 EP claimed
EP-1889624-A2 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-02-20 EP claimed
EP-1868599-A1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2007-12-26 EP claimed
WO-2006108763-A1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-10-19 WO claimed
US-20060084612-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and protein kinase (serine/threonine kinase) inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-04-20 US claimed
US-7030089-B2 Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione PHARMACIA ITALIA S.P.A. (IT) 2006-04-18 US claimed
EP-1461083-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS PHARMACIA ITALIA SPA (IT) 2006-03-29 EP claimed
US-20040092453-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2004-05-13 US claimed
US-20030180383-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and alkylating agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-09-25 US claimed
US-20030162722-A1 Pharmaceutical compositions comprising acryloyl distamycin derivatives and topoisomerase I and II inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-08-28 US claimed
WO-2003055522-A1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS PHARMACIA ITALIA SPA (IT) 2003-07-10 WO claimed
EP-1303307-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS Pharmacia Italia S.p.A. (IT) 2003-04-23 EP claimed
EP-1292290-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS Pharmacia Italia S.p.A. (IT) 2003-03-19 EP claimed
EP-1280527-A2 USE OF SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES IN THE TREATMENT OF TUMORS ASSOCIATED WITH HIGH LEVELS OF GLUTATHIONE Pharmacia Italia S.p.A. (IT) 2003-02-05 EP claimed
WO-2001097789-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
WO-2001097790-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
WO-2001085144-A2 USE OF SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES IN THE TREATMENT OF TUMORS ASSOCIATED WITH HIGH LEVELS OF GLUTATHIONE PHARMACIA ITALIA S.P.A. (IT) 2001-11-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092453-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites HDGF, TUBB1, BCOR HRAS 541/4885ESR1 3539/4885ESR2 1737/4885
US-20060084612-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and protein kinase (serine/threonine kinase) inhibitors STK4, DSTYK, MTOR HRAS 513/4885ESR1 3232/4885ESR2 1839/4885
US-20030162722-A1 Pharmaceutical compositions comprising acryloyl distamycin derivatives and topoisomerase I and II inhibitors TOP2A, TOP1, TOP2B HRAS 1977/4885ESR1 3510/4885ESR2 2241/4885
US-20090074757-A1 Antitumor Combination Comprising Substituted Acryloyl Distamycin Derivatives and Antibodies Inhibiting Growth Factors or Their Receptors HDGF, MET, HGF HRAS 285/4885ESR1 2554/4885ESR2 593/4885
US-20030180383-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and alkylating agents GSTM2, GSTP1, GSTA1 HRAS 18/4885ESR1 4231/4885ESR2 1528/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.