SCHEMBL4461032

SCHEMBL4461032

N#C/N=C1/CCOCCN1c1ccc(NC(=O)C2(NC(=O)c3ccc(Cl)s3)CCC3(CC3)C2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4558759 0.91 F10 (0.44) F10MEN1KMT2AMAPTHTT
SCHEMBL5513576 0.89 F10 (0.37) F10MEN1KMT2AMAPTHTT
SCHEMBL4558783 0.85 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL4558995 0.85 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL4557782 0.85 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL13062019 0.84 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL13062020 0.84 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL3781965 0.84 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL4469723 0.84 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL3786136 0.84 F10 (0.48) F10MEN1KMT2AMAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC F10 2132/4885MEN1 2017/4885KMT2A 1712/4885

“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.