SCHEMBL15024488

SCHEMBL15024488

COC(=O)/C=C/n1ccnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.43
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 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
SCHEMBL11111501 0.73 KMT2A (0.41) CYP2C19LMNATHRBMAPTKMT2A
SCHEMBL4278010 0.71 CA12 (0.40) CYP2C19LMNATHRBKMT2AALDH1A1
SCHEMBL11110764 0.70 LMNA (0.43) CYP2C19LMNATHRBKMT2AMEN1
SCHEMBL3835016 0.68 LMNA (0.60) RAB9APOLBCYP2C19LMNATHRB
SCHEMBL9441464 0.66 CYP2C19 (0.48) POLBCYP2C19LMNATHRBKMT2A
SCHEMBL16318735 0.66 CA12 (0.52) CYP2C19LMNATHRBKMT2ACA12
SCHEMBL9953609 0.65 LMNA (0.40) CYP2C19LMNATHRBMAPTKMT2A
SCHEMBL2283075 0.64 LMNA (0.45) CYP2C19LMNATHRBMAPTKMT2A
SCHEMBL12396373 0.64 KMT2A (0.54) CYP2C19LMNATHRBKMT2AALDH1A1
SCHEMBL12396374 0.64 CA12 (0.50) CYP2C19LMNATHRBKMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217908-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2017-08-03 US disclosed
US-20170217908-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2017-08-03 US disclosed
US-9663478-B2 Benzotriazine oxides as drugs targeting Mycobacterium tuberculosis SRI INTERNATIONAL (US) 2017-05-30 US disclosed
US-9663478-B2 Benzotriazine oxides as drugs targeting Mycobacterium tuberculosis SRI INTERNATIONAL (US) 2017-05-30 US disclosed
WO-2013086467-A1 BENZOTRIAZINE OXIDES AS DRUGS TARGETING MYCOBACTERIUM TUBERCULOSIS SRI INTERNATIONAL (US) 2013-06-13 WO disclosed
US-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2013-06-13 US disclosed
US-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2013-06-13 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-20170217908-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis QDPR, TBCA, TBCD NFE2L2 223/4885RAB9A 2300/4885POLB 2119/4885
US-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis QDPR, TBCA, TBCD NFE2L2 223/4885RAB9A 2300/4885POLB 2119/4885

“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.