SCHEMBL4459619

SCHEMBL4459619

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCCC2)ccc1N1CCCCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
NFKB1 P19838 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB2 Q00653 3/20 0.41
KMT2A Q03164 3/20 0.41
RELA Q04206 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
F10 P00742 14/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL4459451 0.97 CTSL (0.46) CTSLCTSBCTSSMEN1NPC1
SCHEMBL4460045 0.87 CTSL (0.47) CTSLCTSBCTSSMEN1NPC1
SCHEMBL4456106 0.86 CTSL (0.46) CTSLCTSBCTSSMEN1NPC1
SCHEMBL4478364 0.85 F10 (0.57) CTSLCTSBCTSSF10
SCHEMBL5506040 0.84 FAAH (0.44) F10LMNAGAA
SCHEMBL4462619 0.84 F10 (0.48) CTSLCTSBCTSSMEN1NPC1
SCHEMBL4459645 0.84 F10 (0.56) CTSLCTSBCTSSF10
SCHEMBL4455984 0.83 F10 (0.57) CTSLCTSBCTSSF10
SCHEMBL4473684 0.83 F10 (0.46) CTSLCTSBCTSSMEN1NPC1
SCHEMBL4478252 0.83 F10 (0.48) CTSLCTSBCTSSMEN1NPC1

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 4 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-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
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.