SCHEMBL2114774

SCHEMBL2114774

Cn1cc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
TSHR P16473 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1662655 0.84 AR (0.51) ARCYP3A4TSHRKMT2AALDH1A1
SCHEMBL12438322 0.84 MAPK1 (0.44) ARSMN1; SMN2CYP3A4TSHRLMNA
Hydrochloric Acid SCHEMBL6151019 0.82 AR (0.50) ARCYP3A4TSHRKMT2AALDH1A1
SCHEMBL2399432 0.82 ALDH1A1 (0.43) ARSMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL5750827 0.82 AR (0.40) ARSMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL4348433 0.81 KDM4E (0.41) ARSMN1; SMN2CYP3A4LMNAKMT2A
SCHEMBL27520536 0.81 AR (0.39) ARSMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL1299113 0.80 SMN1; SMN2 (0.48) ARSMN1; SMN2CYP3A4TSHRSIRT2
SCHEMBL1842086 0.79 KMT2A (0.43) ARSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL2388875 0.79 MEN1 (0.44) ARSMN1; SMN2KMT2AALDH1A1PKM

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 17 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-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 US claimed
CN-101723872-B Symmetric conjugate of polyamine and pyrrolepolyamide and preparation method thereof UNIV SOUTHERN MEDICAL 2011-09-14 CN claimed
CN-101723872-A Symmetric conjugate of polyamine and pyrrolepolyamide and preparation method thereof UNIV SOUTHERN MEDICAL 2010-06-09 CN 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
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN 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
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN 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
CN-101723872-B Symmetric conjugate of polyamine and pyrrolepolyamide and preparation method thereof UNIV SOUTHERN MEDICAL 2011-09-14 CN disclosed
CN-101723872-A Symmetric conjugate of polyamine and pyrrolepolyamide and preparation method thereof UNIV SOUTHERN MEDICAL 2010-06-09 CN disclosed
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP 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 (3 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 AR 4255/4885SMN1; SMN2 4865/4885CYP3A4 756/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA AR 4475/4885SMN1; SMN2 3952/4885CYP3A4 1175/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 AR 4067/4885SMN1; SMN2 1477/4885CYP3A4 284/4885

“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.