SCHEMBL2116426

SCHEMBL2116426

O=C(C=Cc1ccc(C(F)(F)F)cc1)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.62
▸ MEN1 O00255 7/20 0.62
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ POLB P06746 2/20 0.53
▸ CASP3 P42574 2/20 0.53
▸ SENP8 Q96LD8 2/20 0.53
▸ SENP7 Q9BQF6 2/20 0.53
▸ SENP6 Q9GZR1 2/20 0.53
▸ MAPT P10636 2/20 0.50
▸ TNF P01375 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MCHR1 Q99705 3/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL2116425 1.00 KMT2A (0.62) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2115385 0.91 KMT2A (0.65) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2115383 0.91 KMT2A (0.65) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2114872 0.91 MEN1 (0.61) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2114874 0.91 MEN1 (0.61) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2117324 0.90 KMT2A (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2117328 0.90 KMT2A (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2119524 0.90 KMT2A (0.65) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2119528 0.90 KMT2A (0.65) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2117562 0.89 KMT2A (0.67) KMT2AMEN1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 — — US claimed
US-9949970-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 — — US disclosed
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 — — US disclosed
US-9273039-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-01 — — US disclosed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 — — 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 (2 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-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA KMT2A 3916/4885MEN1 3843/4885NPC1 1681/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA KMT2A 4072/4885MEN1 3854/4885NPC1 2311/4885

“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.

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