SCHEMBL2114745

SCHEMBL2114745

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.64
▸ KMT2A Q03164 9/20 0.64
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ POLB P06746 2/20 0.64
▸ CASP3 P42574 2/20 0.64
▸ SENP8 Q96LD8 2/20 0.64
▸ SENP7 Q9BQF6 2/20 0.64
▸ SENP6 Q9GZR1 2/20 0.64
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MITF O75030 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ CRHBP P24387 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
SCHEMBL2116593 0.91 MEN1 (0.64) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2115116 0.88 RAB9A (0.82) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2115034 0.85 MEN1 (0.64) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2116706 0.84 KMT2A (0.59) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2116845 0.83 NPC1 (0.60) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2114612 0.82 KMT2A (0.62) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2115087 0.82 NPC1 (0.59) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2112049 0.80 MEN1 (0.56) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2115301 0.80 RAB9A (0.79) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL16562118 0.78 RAB9A (1.00) MEN1KMT2ARAB9ANPC1POLB

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 4 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 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 MEN1 3843/4885KMT2A 3916/4885RAB9A 2476/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA MEN1 3854/4885KMT2A 4072/4885RAB9A 4194/4885

“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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