SCHEMBL2158443

SCHEMBL2158443

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
RAB9A P51151 1/20 0.63
CYP11B1 P15538 10/20 0.57
CYP11B2 P19099 8/20 0.57
POLB P06746 1/20 0.51
GLA P06280 1/20 0.49
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL2158440 1.00 MAPT (0.63) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL1404594 0.89 POLB (0.61) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL1404593 0.89 POLB (0.61) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL1850263 0.88 CYP11B1 (0.49) MAPTRAB9ACYP11B1CYP11B2HTT
SCHEMBL15062978 0.88 CYP11B1 (0.49) MAPTRAB9ACYP11B1CYP11B2HTT
SCHEMBL5366180 0.85 POLB (0.54) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL5366177 0.85 POLB (0.54) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL5363262 0.84 POLB (0.53) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL3820851 0.84 POLB (0.53) MAPTRAB9ACYP11B1CYP11B2POLB
SCHEMBL5363256 0.84 POLB (0.53) MAPTRAB9ACYP11B1CYP11B2POLB

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 3 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

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 MAPT 3929/4885RAB9A 1481/4885CYP11B1 8/4885

“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.