SCHEMBL4558995

SCHEMBL4558995

N#CN=C1CCOCCN1c1ccc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCCC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
SMN1; SMN2 Q16637 10/20 0.39
RAB9A P51151 9/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
NPC1 O15118 7/20 0.39
MAPT P10636 7/20 0.39
HTT P42858 6/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 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
SCHEMBL4558783 0.98 F10 (0.48) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL4558837 0.93 F10 (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL4468189 0.93 F10 (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL13012476 0.93 F10 (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL13012478 0.93 F10 (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL8277889 0.93 F10 (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL4467101 0.93 CTSL (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL4468190 0.92 F10 (0.52) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL4558421 0.91 F10 (0.47) F10CTSLCTSBCTSSSMN1; SMN2
SCHEMBL4467392 0.90 F10 (0.51) F10CTSLCTSBCTSSSMN1; SMN2

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.