SCHEMBL4197934

SCHEMBL4197934

O=[N+]([O-])c1cccc2nn([N+](=O)[O-])cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.58
NOS2 P35228 1/20 0.58
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 5/20 0.47
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
FGFR1 P11362 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4719658 0.81 ALDH1A1 (0.59) NOS1NOS2POLBTDP1ALDH1A1
SCHEMBL3656023 0.76 ALDH1A1 (0.48) NOS1NOS2POLBTDP1ALDH1A1
SCHEMBL579924 0.73 NOS1 (1.00) NOS1NOS2TDP1ALDH1A1TXNRD1
SCHEMBL11540231 0.73 ALDH1A1 (0.44) POLBTDP1ALDH1A1FGFR1MEN1
SCHEMBL27228472 0.73 POLB (0.43) NOS1NOS2POLBTDP1ALDH1A1
SCHEMBL7536750 0.72 NOS1 (0.56) NOS1NOS2TDP1ALDH1A1MAPT
SCHEMBL31169320 0.71 ADORA2A (0.44) POLBTDP1ALDH1A1FGFR1MAPT
SCHEMBL14909620 0.71 ALDH1A1 (0.43) NOS1NOS2POLBTDP1ALDH1A1
SCHEMBL5861345 0.71 ALDH1A1 (0.49) NOS1NOS2POLBTDP1ALDH1A1
SCHEMBL11010679 0.70 MEN1 (0.46) POLBTDP1ALDH1A1GPR35MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005417-A1 Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-01-01 US disclosed
CN-101133034-A Substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-02-27 CN disclosed
EP-1869002-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-26 EP disclosed
WO-2006069809-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676841-A1 Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments Esteve Laboratorios Dr. Esteve S.A. (ES) 2006-07-05 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 (1 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-20090005417-A1 Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments HTR6, TPH2, HTR5A NOS1 1524/4885NOS2 434/4885POLB 4740/4885

“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.