SCHEMBL4459654

SCHEMBL4459654

CN=C1CCOCCN1c1ccc(NC(=O)C2(NC(=O)c3ccc(Br)s3)COC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.52
RAB9A P51151 9/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 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
SCHEMBL4460990 0.95 F10 (0.50) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4456140 0.93 F10 (0.51) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4467392 0.93 F10 (0.51) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4477339 0.93 F10 (0.51) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4465293 0.90 F10 (0.49) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4477604 0.89 F10 (0.59) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5503566 0.88 F10 (0.42) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4463401 0.87 F10 (0.55) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13012476 0.85 F10 (0.47) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4558837 0.85 F10 (0.47) F10RAB9ANPC1SMN1; SMN2MAPT

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 2132/4885RAB9A 1694/4885NPC1 2769/4885

“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.