SCHEMBL4620840

SCHEMBL4620840

Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.76
ESR1 P03372 13/20 0.76
ESR2 Q92731 13/20 0.76
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
TOP1 P11387 2/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HIF1A Q16665 1/20 0.51
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
EP300 Q09472 1/20 0.38

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
SCHEMBL7502682 1.00 HRAS (0.76) HRASESR1ESR2HDAC1HDAC2
Hydrochloric Acid SCHEMBL4621620 0.99 HRAS (0.76) HRASESR1ESR2HDAC1HDAC2
Hydrochloric Acid SCHEMBL7511681 0.99 HRAS (0.76) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7510593 0.95 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7514039 0.95 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7506821 0.95 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7505515 0.95 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7574089 0.95 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7504409 0.95 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
Hydrochloric Acid SCHEMBL7569463 0.94 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2

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
US-7396851-B2 Heterocyclic and benzoheterocyclic polyamides structurally related to the natural antibiotic distamycin A for the treatment of β-thalassaemia UNIVERSITA' DEGLI STUDI DI FERRARA (IT) 2008-07-08 US claimed
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-0722446-B1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2002-12-11 EP claimed
US-7396851-B2 Heterocyclic and benzoheterocyclic polyamides structurally related to the natural antibiotic distamycin A for the treatment of β-thalassaemia UNIVERSITA' DEGLI STUDI DI FERRARA (IT) 2008-07-08 US disclosed
US-7396851-B2 Heterocyclic and benzoheterocyclic polyamides structurally related to the natural antibiotic distamycin A for the treatment of β-thalassaemia UNIVERSITA' DEGLI STUDI DI FERRARA (IT) 2008-07-08 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.