SCHEMBL3421824

SCHEMBL3421824

CC(=O)N1CCN(C(=O)c2ccc(NC(=O)C3(NC(=O)c4ccc(Cl)s4)CCOC3)cc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.53
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3429300 0.91 F10 (0.51) F10ALDH1A1MEN1KMT2AMAPT
SCHEMBL3425891 0.90 F10 (0.41) F10ALDH1A1MEN1KMT2AMAPT
SCHEMBL3428575 0.87 F10 (0.48) F10
SCHEMBL3428572 0.86 F10 (0.47) F10ALDH1A1MEN1KMT2AMAPT
SCHEMBL3427642 0.85 F10 (0.49) F10ALDH1A1MEN1KMT2AMAPT
SCHEMBL3421749 0.83 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL3777662 0.83 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL3771943 0.83 F10 (0.48) F10MEN1KMT2AMAPTHTT
SCHEMBL3424315 0.83 F10 (0.45) F10ALDH1A1MEN1KMT2AMAPT
SCHEMBL3429455 0.82 F10 (0.40) F10ALDH1A1MEN1KMT2AMAPT

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 1901/4885ALDH1A1 1734/4885MEN1 2340/4885

“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.