SCHEMBL346925

SCHEMBL346925

O=C(NCc1ccc(F)cc1)c1sc2ccccc2c1Br

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.80
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SENP1 Q9P0U3 2/20 0.49
CASP3 P42574 1/20 0.49
SENP5 Q96HI0 1/20 0.48
SENP2 Q9HC62 1/20 0.48
MAPT P10636 2/20 0.48
NMT1 P30419 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.45

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 0.89 PTGS2 (1.00) PTGS2SMN1; SMN2KMT2ASENP1SENP5
SCHEMBL10052333 0.86 PTGS2 (0.74) PTGS2SENP1SENP5SENP2NMT1
SCHEMBL347919 0.85 PTGS2 (0.76) PTGS2CYP1A2CYP2C19KMT2ASENP1
SCHEMBL10021087 0.82 PTGS2 (0.72) PTGS2SMN1; SMN2SENP1CASP3SENP5
SCHEMBL347428 0.78 PTGS2 (0.70) PTGS2SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL347207 0.77 PTGS2 (1.00) PTGS2SMN1; SMN2CASP3MAPTLMNA
SCHEMBL1623348 0.76 PTGS2 (0.67) PTGS2SMN1; SMN2KMT2ASENP1SENP5
SCHEMBL5325983 0.73 PTGS2 (0.59) PTGS2SMN1; SMN2KMT2ASENP1SENP5
SCHEMBL19877316 0.73 PTGS2 (0.46) PTGS2SMN1; SMN2KMT2ACASP3MAPT
SCHEMBL3370042 0.72 CHRM4 (0.53) SMN1; SMN2CYP1A2CYP2C19KMT2AMAPT

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 4/4885SMN1; SMN2 3750/4885CYP1A2 43/4885

“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.