SCHEMBL4478043

SCHEMBL4478043

CN1CCC(=O)N(c2ccc(NC(=O)C3(NC(=O)c4ccc(Br)s4)CCOC3)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.52
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
POLB P06746 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL13062210 0.90 F10 (0.53) F10KMT2AMEN1MAPTUSP2
SCHEMBL4467282 0.90 F10 (0.56) F10KMT2AMEN1MAPTNPC1
SCHEMBL13062218 0.90 F10 (0.53) F10KMT2AMEN1MAPTUSP2
SCHEMBL5512138 0.88 F10 (0.43) F10KMT2AMEN1MAPTUSP2
SCHEMBL4478361 0.88 F10 (0.66) F10
SCHEMBL3773203 0.85 KMT2A (0.52) F10KMT2AMEN1MAPTUSP2
SCHEMBL3774479 0.85 KMT2A (0.52) F10KMT2AMEN1MAPTUSP2
SCHEMBL2572583 0.85 KMT2A (0.52) F10KMT2AMEN1MAPTUSP2
SCHEMBL4465515 0.84 F10 (0.48) F10KMT2AMEN1MAPTUSP2
SCHEMBL4477604 0.84 F10 (0.59) F10KMT2AMEN1MAPTNPC1

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 2132/4885KMT2A 1712/4885MEN1 2017/4885

“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.