SCHEMBL4558084

SCHEMBL4558084

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)ccc1N1CCOCCC1=NC#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MITF O75030 1/20 0.34
PAX8 Q06710 1/20 0.34
GAA P10253 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
SCHEMBL13965134 1.00 F10 (0.39) F10CTSLCTSBCTSSHTT
SCHEMBL13062211 1.00 F10 (0.39) F10CTSLCTSBCTSSHTT
SCHEMBL13062292 1.00 F10 (0.39) F10CTSLCTSBCTSSHTT
SCHEMBL4460893 1.00 F10 (0.39) F10CTSLCTSBCTSSHTT
SCHEMBL4468540 0.94 F10 (0.42) F10CTSLCTSBCTSSHTT
SCHEMBL4463789 0.94 CTSL (0.40) F10CTSLCTSBCTSSHTT
SCHEMBL4558837 0.91 F10 (0.47) F10CTSLCTSBCTSSHTT
SCHEMBL13012222 0.91 F10 (0.47) F10HTTMEN1KMT2A
SCHEMBL13012478 0.91 F10 (0.47) F10CTSLCTSBCTSSHTT
SCHEMBL13012476 0.91 F10 (0.47) F10CTSLCTSBCTSSHTT

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.