SCHEMBL3677086

SCHEMBL3677086

C=C(Cl)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.56
ESR1 P03372 13/20 0.56
ESR2 Q92731 13/20 0.56
TOP1 P11387 2/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
HIF1A Q16665 1/20 0.55
PKM P14618 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HPSE Q9Y251 1/20 0.33
P2RY12 Q9H244 1/20 0.32

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
Hydrochloric Acid SCHEMBL3454064 0.99 KDM4E (0.57) HRASESR1ESR2TOP1KDM4E
SCHEMBL6781584 0.90 HRAS (0.49) HRASESR1ESR2TOP1KDM4E
SCHEMBL6780457 0.90 HRAS (0.49) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL7201931 0.90 KDM4E (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL6782691 0.89 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL6781737 0.89 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
Brostallicin SCHEMBL3678233 0.89 HRAS (0.56) HRASESR1ESR2TOP1KDM4E
SCHEMBL7127024 0.89 HRAS (0.56) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL5445158 0.88 KDM4E (0.57) HRASESR1ESR2TOP1KDM4E
Brostallicin SCHEMBL2230670 0.88 KDM4E (0.57) 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 25 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
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-1303307-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2007-05-16 EP claimed
EP-1345604-B1 USE OF A ALPHA-HALOGEN-ACRYLOYL DISTAMYCIN DERIVATE FOR THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2006-09-13 EP claimed
US-6951951-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-10-04 US claimed
US-20040082759-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US claimed
US-20030207794-A1 Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-11-06 US 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
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. 2003-01-30 US claimed
US-6482920-B1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA ITALIA, S.P.A. (IT) 2002-11-19 US 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
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP claimed
US-6951951-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-10-04 US disclosed
US-6906199-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-06-14 US disclosed
EP-1347958-B1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA SPA (IT) 2005-01-19 EP disclosed
US-20040082759-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US disclosed
US-6482920-B1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA ITALIA, S.P.A. (IT) 2002-11-19 US disclosed
WO-2002044147-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-06-06 WO disclosed
WO-2002002523-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-01-10 WO disclosed
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20040082759-A1 Process for preparing distamycin derivatives GSTP1, GSTA1, GSS HRAS 15/4885ESR1 4086/4885ESR2 1721/4885
US-20030207794-A1 Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione GSTA1, GSTK1, GSTP1 HRAS 18/4885ESR1 3956/4885ESR2 1378/4885
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents EIF2AK2, ACR, EIF4A1 HRAS 399/4885ESR1 3985/4885ESR2 3455/4885

“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.