SCHEMBL10021087

SCHEMBL10021087

O=C(NCc1ccc2ccccc2c1)c1sc2ccccc2c1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.72
SENP5 Q96HI0 8/20 0.51
SENP2 Q9HC62 8/20 0.51
SENP1 Q9P0U3 8/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
USP2 O75604 1/20 0.43
NMT1 P30419 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 0.84 PTGS2 (1.00) PTGS2SENP5SENP2SENP1HDAC1
SCHEMBL347919 0.82 PTGS2 (0.76) PTGS2SENP5SENP2SENP1HDAC1
SCHEMBL346925 0.82 PTGS2 (0.80) PTGS2SENP5SENP2SENP1CASP3
SCHEMBL347428 0.81 PTGS2 (0.70) PTGS2ALDH1A1TP53MAPTHPGD
SCHEMBL10052333 0.79 PTGS2 (0.74) PTGS2SENP5SENP2SENP1NMT1
SCHEMBL347207 0.75 PTGS2 (1.00) PTGS2HDAC1HDAC3HDAC4HDAC7
SCHEMBL1623348 0.74 PTGS2 (0.67) PTGS2SENP5SENP2SENP1HDAC1
SCHEMBL27920877 0.72 NR1H4 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12521445 0.72 MAPT (0.61) PTGS2HDAC1HDAC3HDAC4HDAC7
SCHEMBL14093688 0.70 MC5R (0.45) PTGS2HDAC1HDAC3HDAC2HDAC8

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-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 4/4885SENP5 2397/4885SENP2 2548/4885

“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.