SCHEMBL6809704

SCHEMBL6809704

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(N(CCCl)CCCl)ccc5o4)cn3C)cn2C)cc1C(=O)NCCC(=N)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 1.00
ESR1 P03372 13/20 1.00
ESR2 Q92731 13/20 1.00
TOP1 P11387 2/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36

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 SCHEMBL4618436 0.99 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL14102117 0.99 HRAS (0.98) HRASESR1ESR2TOP1KDM4E
SCHEMBL6175307 0.93 HRAS (0.86) HRASESR1ESR2TOP1KDM4E
SCHEMBL6974763 0.92 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6974692 0.92 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL6178332 0.91 HRAS (0.83) HRASESR1ESR2TOP1KDM4E
SCHEMBL6974333 0.85 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Tallimustine SCHEMBL62279 0.85 HRAS (0.82) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6976535 0.85 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Tallimustine SCHEMBL1230144 0.84 HRAS (0.82) 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-20040259799-A1 Use of heterocyclic and benzoheterocyclic polyamides structurally related to the natural antibiotic distamycin a for the treatment of beta-thalassaemia ASSOCIAZIONE VENETA PER LA LOTTA ALLA TALASSEMIA (IT) 2004-12-23 US claimed
EP-0937070-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2003-12-03 EP claimed
US-6153642-A Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-28 US 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-20040259799-A1 Use of heterocyclic and benzoheterocyclic polyamides structurally related to the natural antibiotic distamycin a for the treatment of beta-thalassaemia HBZ, HBG2, HBB HRAS 3056/4885ESR1 4577/4885ESR2 2064/4885

“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.