SCHEMBL347478

SCHEMBL347478

O=C(NCc1ccccc1)c1sc2ccccc2c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 1.00
NMT1 P30419 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
SENP5 Q96HI0 6/20 0.49
SENP2 Q9HC62 6/20 0.49
SENP1 Q9P0U3 6/20 0.49
HPGD P15428 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC2 Q92769 1/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL346925 0.89 PTGS2 (0.80) PTGS2NMT1L3MBTL1SENP5SENP2
SCHEMBL347207 0.87 PTGS2 (1.00) PTGS2L3MBTL1HPGDSMN1; SMN2HDAC8
SCHEMBL347919 0.87 PTGS2 (0.76) PTGS2NMT1SENP5SENP2SENP1
SCHEMBL10052333 0.86 PTGS2 (0.74) PTGS2NMT1SENP5SENP2SENP1
SCHEMBL10021087 0.84 PTGS2 (0.72) PTGS2NMT1SENP5SENP2SENP1
SCHEMBL347428 0.82 PTGS2 (0.70) PTGS2HPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL1623348 0.80 PTGS2 (0.67) PTGS2NMT1L3MBTL1SENP5SENP2
SCHEMBL346530 0.77 MCL1 (0.62) PTGS2HPGDHDAC8HDAC6ALDH1A1
SCHEMBL16599338 0.76 PTGS2 (0.59) PTGS2HPGDHDAC8HDAC6ALDH1A1
SCHEMBL10624354 0.75 PTGS2 (0.59) PTGS2NMT1L3MBTL1HDAC8HDAC6

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 7 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
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 4/4885NMT1 752/4885L3MBTL1 4647/4885

“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.