SCHEMBL6912559

SCHEMBL6912559

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(C=O)cn3C)cn2C)cc1C(=O)NCCC#N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 11/20 0.57
▸ ESR1 P03372 11/20 0.57
▸ ESR2 Q92731 11/20 0.57
▸ TOP1 P11387 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL7127894 0.91 HRAS (0.69) HRASESR1ESR2TOP1KDM4E
SCHEMBL7328867 0.84 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL8917157 0.84 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6180839 0.83 KDM4E (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL7117804 0.81 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL7127781 0.81 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL7118414 0.81 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL30644155 0.80 HRAS (0.47) HRASESR1ESR2TOP1KDM4E
SCHEMBL6257041 0.80 HRAS (0.47) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL10425307 0.80 TOP1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029810-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-02-12 — — US disclosed
EP-1311481-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES Pharmacia Italia S.p.A. (IT) 2003-05-21 — — EP disclosed
WO-2002008184-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-01-31 — — WO 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 (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-20040029810-A1 Process for preparing distamycin derivatives RPN2, DHPS, MYD88 HRAS 293/4885ESR1 3897/4885ESR2 3101/4885

“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.

Send feedback