SCHEMBL1850263

SCHEMBL1850263

COc1ccc(C(=CN(C)C)C(=O)c2ccc(F)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.49
CYP11B2 P19099 6/20 0.49
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
MDM2 Q00987 2/20 0.43
MCL1 Q07820 1/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MDM4 O15151 1/20 0.41
HPGD P15428 1/20 0.41
PYGL P06737 2/20 0.40

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
SCHEMBL15062978 1.00 CYP11B1 (0.49) CYP11B1CYP11B2RAB9AMAPTMDM2
SCHEMBL2158443 0.88 MAPT (0.63) CYP11B1CYP11B2RAB9AMAPTGAA
SCHEMBL2158440 0.88 MAPT (0.63) CYP11B1CYP11B2RAB9AMAPTGAA
SCHEMBL5363262 0.82 POLB (0.53) CYP11B1CYP11B2RAB9AMAPTHTT
SCHEMBL5363256 0.82 POLB (0.53) CYP11B1CYP11B2RAB9AMAPTHTT
SCHEMBL1846747 0.82 KMT2A (0.61) CYP11B1CYP11B2RAB9AMAPTSMN1; SMN2
SCHEMBL1846745 0.82 KMT2A (0.61) CYP11B1CYP11B2RAB9AMAPTSMN1; SMN2
SCHEMBL5904302 0.78 CES2 (0.60) CYP11B1CYP11B2RAB9AMAPTGAA
SCHEMBL5904300 0.78 CES2 (0.60) CYP11B1CYP11B2RAB9AMAPTGAA
SCHEMBL10997616 0.78 CES2 (0.60) CYP11B1CYP11B2RAB9AMAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324015-B1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-03 EP disclosed
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO 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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 CYP11B1 8/4885CYP11B2 4/4885RAB9A 1481/4885

“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.