SCHEMBL4463706

SCHEMBL4463706

O=C(NC1(C(=O)Nc2ccc(N3CCOCC3=NO)c(Cl)c2)CCCC1)c1ccc(Br)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.54
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 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
SCHEMBL4468501 0.98 F10 (0.54) F10CTSLCTSBCTSSNPC1
SCHEMBL4463401 0.93 F10 (0.55) F10NPC1RAB9AMEN1KMT2A
SCHEMBL4475514 0.92 F10 (0.53) F10NPC1RAB9AMEN1KMT2A
SCHEMBL4463198 0.90 F10 (0.57) F10CTSLCTSBCTSSNPC1
SCHEMBL4463507 0.90 F10 (0.68) F10CTSLCTSBCTSS
SCHEMBL4468190 0.89 F10 (0.52) F10CTSLCTSBCTSSNPC1
SCHEMBL4471601 0.89 F10 (0.67) F10CTSLCTSBCTSS
SCHEMBL4471694 0.88 F10 (0.68) F10
SCHEMBL4479375 0.88 F10 (0.57) F10CTSLCTSBCTSSNPC1
SCHEMBL4467392 0.88 F10 (0.51) F10CTSLCTSBCTSSNPC1

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.