SCHEMBL2115034

SCHEMBL2115034

O=C(NNc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.64
▸ KMT2A Q03164 7/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ POLB P06746 2/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ SENP8 Q96LD8 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ DYRK1A Q13627 1/20 0.53
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ CSNK2A3 Q8NEV1 1/20 0.50
▸ CSNK1D P48730 4/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ KDM4E B2RXH2 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
SCHEMBL2115116 0.88 RAB9A (0.82) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2116593 0.87 MEN1 (0.64) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2112049 0.86 MEN1 (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2114745 0.85 MEN1 (0.64) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2115087 0.84 NPC1 (0.59) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2116845 0.83 NPC1 (0.60) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2114612 0.82 KMT2A (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2116706 0.82 KMT2A (0.59) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2116890 0.81 MEN1 (0.69) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2115301 0.80 RAB9A (0.79) MEN1KMT2ANPC1RAB9APOLB

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

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