SCHEMBL347428

SCHEMBL347428

O=C(NCc1cccc2ccccc12)c1sc2ccccc2c1Br

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.70
MCL1 Q07820 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
BCHE P06276 1/20 0.48
CA2 P00918 1/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP3 P08254 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MTNR1A P48039 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ANPEP P15144 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
SCHEMBL347478 0.82 PTGS2 (1.00) PTGS2MAPTKMT2AALDH1A1TP53
SCHEMBL10021087 0.81 PTGS2 (0.72) PTGS2MAPTALDH1A1TP53HPGD
SCHEMBL346925 0.78 PTGS2 (0.80) PTGS2MAPTKMT2AALDH1A1HPGD
SCHEMBL347919 0.76 PTGS2 (0.76) PTGS2MAPTKMT2AALDH1A1TP53
SCHEMBL10052333 0.75 PTGS2 (0.74) PTGS2
SCHEMBL1623348 0.75 PTGS2 (0.67) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL347207 0.74 PTGS2 (1.00) PTGS2CA2MAPTALDH1A1HPGD
SCHEMBL3817884 0.73 CA2 (0.70) CHRNB2CHRNA4CA2MAPTMEN1
SCHEMBL6570852 0.72 CA2 (0.69) CHRNB2CHRNA4CA2MAPTMEN1
SCHEMBL22323341 0.72 MEN1 (0.66) CHRNB2CHRNA4BCHECA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578579-A1 Benzothiophene carboxamide compounds, composition and applications thereof National Institute of Immunology (IN) 2013-04-10 EP claimed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US claimed
EP-2578579-A1 Benzothiophene carboxamide compounds, composition and applications thereof National Institute of Immunology (IN) 2013-04-10 EP 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
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 PTGS2 4/4885MCL1 2051/4885CHRNB2 3337/4885

“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.