SCHEMBL347207

SCHEMBL347207

O=C(NCCc1ccccc1)c1sc2ccccc2c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 1.00
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
HDAC6 Q9UBN7 3/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 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
SCHEMBL347478 0.87 PTGS2 (1.00) PTGS2RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL15931659 0.84 CA1 (0.74) PTGS2CA1CA2CA9RAB9A
SCHEMBL346925 0.77 PTGS2 (0.80) PTGS2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1623348 0.77 PTGS2 (0.67) PTGS2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10021087 0.75 PTGS2 (0.72) PTGS2RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL347919 0.75 PTGS2 (0.76) PTGS2RAB9ANPC1MAPTGAA
SCHEMBL10052333 0.74 PTGS2 (0.74) PTGS2
SCHEMBL9025424 0.74 PTGS2 (0.59) PTGS2CA1CA2CA9RAB9A
SCHEMBL346530 0.74 MCL1 (0.62) PTGS2MAPTHDAC6HDAC8LMNA
SCHEMBL347428 0.74 PTGS2 (0.70) PTGS2CA2RAB9ASMN1; SMN2MAPT

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 4/4885CA1 2855/4885CA2 521/4885

“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.