SCHEMBL347996

SCHEMBL347996

NC(=O)c1sc2ccccc2c1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.66
IKBKB O14920 1/20 0.66
PTGS2 P35354 2/20 0.56
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
OGG1 O15527 1/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 2/20 0.44

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
SCHEMBL16599338 0.85 PTGS2 (0.59) LIMK1IKBKBPTGS2HDAC1HDAC8
SCHEMBL346530 0.83 MCL1 (0.62) LIMK1IKBKBPTGS2HDAC1HDAC8
SCHEMBL30980091 0.81 PTGS2 (0.56) LIMK1IKBKBPTGS2HDAC1HDAC8
SCHEMBL2503631 0.81 PTGS2 (0.56) LIMK1IKBKBPTGS2HDAC1HDAC8
SCHEMBL6609258 0.79 LIMK1 (1.00) LIMK1IKBKBHDAC1HDAC8HDAC6
SCHEMBL649968 0.79 LIMK1 (0.68) LIMK1IKBKBMCL1KDM4EALDH1A1
SCHEMBL11074064 0.79 LIMK1 (0.68) LIMK1IKBKBMCL1KDM4EALDH1A1
SCHEMBL29483598 0.78 LIMK1 (0.68) LIMK1IKBKBHDAC1HDAC8HDAC6
SCHEMBL7675240 0.78 MCL1 (0.71) LIMK1IKBKBHDAC1HDAC8HDAC6
SCHEMBL9434697 0.78 LIMK1 (0.66) LIMK1IKBKBPTGS2HDAC1HDAC8

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
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed
EP-2578579-A1 Benzothiophene carboxamide compounds, composition and applications thereof National Institute of Immunology (IN) 2013-04-10 EP disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 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-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF PTGER2, PTGES2, PTGIR LIMK1 3272/4885IKBKB 1303/4885PTGS2 4/4885

“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.