SCHEMBL3424489

SCHEMBL3424489

CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCC2)c(Br)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.81
AR P10275 3/20 0.57
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
CCKBR P32239 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
NPY2R P49146 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3425566 0.90 F10 (0.66) F10ARHPGDNPC1RAB9A
SCHEMBL3425266 0.90 F10 (0.84) F10ARALDH1A1HPGDNPC1
SCHEMBL3427505 0.90 F10 (1.00) F10ARALDH1A1HPGDNPC1
SCHEMBL3425291 0.89 F10 (0.98) F10ARALDH1A1HPGDNPC1
SCHEMBL3426052 0.89 F10 (0.98) F10ARALDH1A1HPGDNPC1
SCHEMBL3424715 0.85 F10 (0.69) F10ARHPGDNPC1RAB9A
SCHEMBL3425262 0.83 F10 (0.86) F10ARALDH1A1HPGDKMT2A
SCHEMBL3424566 0.82 F10 (0.86) F10ARALDH1A1HPGDNPC1
SCHEMBL3427996 0.82 F10 (0.86) F10ARALDH1A1HPGDNPC1
SCHEMBL3423791 0.82 F10 (0.86) F10ARALDH1A1HPGDNPC1

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-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 F10 1901/4885AR 3491/4885ALDH1A1 1734/4885

“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.