SCHEMBL2117045

SCHEMBL2117045

Cn1c([N+](=O)[O-])cnc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL11697615 0.98 LMNA (0.49) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11715920 0.87 LMNA (0.51) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11697607 0.84 LMNA (0.49) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL2117211 0.84 LMNA (0.56) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11698364 0.81 LMNA (0.50) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL29625078 0.81 LMNA (0.47) LMNAMAPK1ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL11275128 0.80 LMNA (0.46) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL7054740 0.80 LMNA (0.46) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11730855 0.80 LMNA (0.52) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11825870 0.79 LMNA (0.51) LMNAMAPK1ALDH1A1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4026903-A ANTIMICROBIAL AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed
US-3940411-A MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1976-02-24 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 LMNA 3273/4885MAPK1 2361/4885ALDH1A1 782/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA LMNA 3375/4885MAPK1 2825/4885ALDH1A1 1613/4885

“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.