SCHEMBL2815910

SCHEMBL2815910

COc1ccc2ncc([N+](=O)[O-])cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
F2 P00734 1/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55
PDGFRB P09619 3/20 0.51
PDGFRA P16234 3/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
EGFR P00533 1/20 0.50
KAT2B Q92831 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2812139 0.88 ALDH1A1 (0.58) ALDH1A1PDGFRBPDGFRANPC1RAB9A
SCHEMBL4866756 0.80 ALDH1A1 (0.63) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29164288 0.79 SNCA (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7028923 0.78 ALDH1A1 (0.70) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL2203575 0.78 PDGFRB (0.70) ALDH1A1PDGFRBPDGFRAMAPT
SCHEMBL27994380 0.78 ALDH1A1 (0.57) ALDH1A1PDGFRBPDGFRANPC1RAB9A
SCHEMBL29620071 0.76 ALDH1A1 (0.63) ALDH1A1PDGFRBPDGFRANPC1RAB9A
SCHEMBL28110425 0.76 ALDH1A1 (0.63) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2810966 0.76 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30129995 0.76 ALDH1A1 (0.63) ALDH1A1PDGFRBPDGFRANPC1RAB9A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370333-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE (US) 2019-08-06 US disclosed
US-20190010126-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2019-01-10 US disclosed
US-9884826-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-02-06 US disclosed
US-9884826-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-02-06 US disclosed
US-20160355479-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-12-08 US disclosed
US-20160355479-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-12-08 US disclosed
US-20160355479-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-12-08 US disclosed
US-9458147-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-10-04 US disclosed
US-9458147-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-10-04 US disclosed
US-9458147-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-10-04 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
US-5442065-A Antitumor agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-15 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 (4 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-10370333-B2 Sulfonamide compounds and uses as TNAP inhibitors TNNI3, TNKS1BP1, TNNT2 ALDH1A1 3674/4885F2 4369/4885GLA 291/4885
US-20190010126-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS TNNI3, TNKS1BP1, TNNT2 ALDH1A1 3674/4885F2 4369/4885GLA 291/4885
US-20160355479-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS TNNI3, TNKS1BP1, TNNT2 ALDH1A1 3674/4885F2 4369/4885GLA 291/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB ALDH1A1 4134/4885F2 3514/4885GLA 2463/4885

“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.