SCHEMBL3672404

SCHEMBL3672404

C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)c3)n(C)c2)n(C)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.70
ESR1 P03372 13/20 0.70
ESR2 Q92731 13/20 0.70
TOP1 P11387 2/20 0.70
KDM4E B2RXH2 1/20 0.69
POLB P06746 1/20 0.69
MAPT P10636 1/20 0.69
HIF1A Q16665 1/20 0.69
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
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
SCHEMBL3680040 1.00 HRAS (0.70) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL3454493 0.99 KDM4E (0.70) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL3455291 0.99 KDM4E (0.70) HRASESR1ESR2TOP1KDM4E
SCHEMBL7501055 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7508683 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7508643 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7502387 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7503920 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7509566 0.92 HRAS (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7119707 0.91 HRAS (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 5 patents. 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-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
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
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 (1 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-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

“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.