SCHEMBL2115301

SCHEMBL2115301

O=C(NNc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.79
▸ NPC1 O15118 7/20 0.79
▸ L3MBTL1 Q9Y468 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ GLA P06280 1/20 0.62
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ CASP3 P42574 2/20 0.55
▸ SENP8 Q96LD8 2/20 0.55
▸ SENP7 Q9BQF6 2/20 0.55
▸ SENP6 Q9GZR1 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL4918045 0.88 RAB9A (1.00) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2116845 0.86 NPC1 (0.60) RAB9ANPC1L3MBTL1ALDH1A1MAPT
SCHEMBL2114612 0.85 KMT2A (0.62) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2115087 0.85 NPC1 (0.59) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2116706 0.85 KMT2A (0.59) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2112049 0.82 MEN1 (0.56) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL2115116 0.82 RAB9A (0.82) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL2115034 0.80 MEN1 (0.64) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2116593 0.80 MEN1 (0.64) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2114745 0.80 MEN1 (0.64) RAB9ANPC1L3MBTL1KDM4EALDH1A1

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 14 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-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-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-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
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 RAB9A 2476/4885NPC1 1681/4885L3MBTL1 3523/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA RAB9A 4194/4885NPC1 2311/4885L3MBTL1 2870/4885

“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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