SCHEMBL4461980

SCHEMBL4461980

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCN(C)C2)ccc1N1CCOC/C1=N/C#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.41
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4465653 0.91 F10 (0.43) F10MEN1KMT2AL3MBTL1NPC1
SCHEMBL4465652 0.91 F10 (0.43) F10MEN1KMT2AL3MBTL1NPC1
SCHEMBL4461024 0.91 CTSL (0.47) F10CTSLCTSBCTSSMEN1
SCHEMBL4468333 0.91 CTSL (0.45) F10CTSLCTSBCTSSMEN1
SCHEMBL4468540 0.90 F10 (0.42) F10CTSLCTSBCTSSMEN1
SCHEMBL4463489 0.88 F10 (0.54) F10
SCHEMBL4478194 0.88 F10 (0.45) F10MEN1KMT2AL3MBTL1NPC1
SCHEMBL4558421 0.86 F10 (0.47) F10CTSLCTSBCTSSMEN1
SCHEMBL4473690 0.84 F10 (0.40) F10MEN1KMT2AL3MBTL1NPC1
SCHEMBL4466831 0.84 F10 (0.46) F10MEN1KMT2AL3MBTL1NPC1

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 2132/4885CTSL 4233/4885CTSB 4029/4885

“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.