SCHEMBL4463789

SCHEMBL4463789

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)ccc1N1CCCC/C1=N/C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
F10 P00742 14/20 0.36
MEN1 O00255 3/20 0.35
NPC1 O15118 3/20 0.35
NFKB1 P19838 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB2 Q00653 3/20 0.35
KMT2A Q03164 3/20 0.35
RELA Q04206 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL13062211 0.94 F10 (0.39) CTSLCTSBCTSSF10MEN1
SCHEMBL13965134 0.94 F10 (0.39) CTSLCTSBCTSSF10MEN1
SCHEMBL4460893 0.94 F10 (0.39) CTSLCTSBCTSSF10MEN1
SCHEMBL4558084 0.94 F10 (0.39) CTSLCTSBCTSSF10MEN1
SCHEMBL13062292 0.94 F10 (0.39) CTSLCTSBCTSSF10MEN1
SCHEMBL4468540 0.91 F10 (0.42) CTSLCTSBCTSSF10MEN1
SCHEMBL4468333 0.85 CTSL (0.45) CTSLCTSBCTSSF10MEN1
SCHEMBL4461024 0.85 CTSL (0.47) CTSLCTSBCTSSF10MEN1
SCHEMBL13012476 0.85 F10 (0.47) CTSLCTSBCTSSF10MEN1
SCHEMBL4558837 0.85 F10 (0.47) CTSLCTSBCTSSF10MEN1

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 CTSL 4233/4885CTSB 4029/4885CTSS 3845/4885

“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.