SCHEMBL4075158

SCHEMBL4075158

O=[N+]([O-])c1ccc2oncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MAOB P27338 2/20 0.47
NOS1 P29475 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOA P21397 1/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MCL1 Q07820 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2073279 0.86 MAPT (0.51) MAPTMAOBNOS1POLBALDH1A1
SCHEMBL182799 0.75 PDE3B (0.53) MAPTMAOBNOS1POLBALDH1A1
SCHEMBL28122579 0.71 TSHR (0.59) MAPTMAOBNOS1POLBALDH1A1
SCHEMBL428529 0.70 CYP2A6 (0.47) MAPTMAOBPOLBALDH1A1MEN1
SCHEMBL29700330 0.70 CYP2A6 (0.47) MAPTMAOBPOLBALDH1A1MEN1
SCHEMBL14010958 0.69 MAPT (0.53) MAPTMAOBNOS1POLBALDH1A1
SCHEMBL30095409 0.69 MAPT (0.53) MAPTMAOBNOS1POLBALDH1A1
SCHEMBL3829978 0.69 TSHR (0.56) MAPTMAOBNOS1POLBALDH1A1
SCHEMBL28399285 0.69 MAOB (0.56) MAPTMAOBPOLBALDH1A1MEN1
SCHEMBL9559298 0.69 GAA (0.41) MAPTPOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN claimed
CN-115976586-B Forward and reverse pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2025-03-14 CN disclosed
US-20250066364-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2025-02-27 US disclosed
EP-4406616-A2 SUBSTITUTED PYRAZOLO(1,5-A)PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2024-07-31 EP disclosed
US-11932645-B2 Substituted pyrazolo[1,5-a]pyrimidines and their use in the treatment of medical disorders Bial—R & D Investments, S.A. (PT) 2024-03-19 US disclosed
EP-3215510-B1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2023-06-07 EP disclosed
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN disclosed
CN-115925711-A Substituted pyrazolo [1,5-a ] pyrimidines and their use in treating medical disorders BIAL研发投资股份有限公司 2023-04-07 CN disclosed
CN-107001379-B Substituted pyrazolo [1,5-a ] pyrimidines and their use in the treatment of medical disorders BIAL研发投资股份有限公司 2022-11-01 CN disclosed
US-11400095-B2 Substituted imidazo[1,5-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-08-02 US disclosed
US-20120142077-A1 SYNTHETIC ENZYMES DERIVED FROM COMPUTATIONAL DESIGN UNIVERSITY OF WASHINGTON (US) 2012-06-07 US disclosed
US-20090191607-A1 SYNTHETIC ENZYMES DERIVED FROM COMPUTATIONAL DESIGN UNIVERSITY OF WASHINGTON (US) 2009-07-30 US disclosed
WO-2009076655-A2 SYNTHETIC ENZYMES DERIVED FROM COMPUTATIONAL DESIGN UNIVERSITY OF WASHINGTON (US) 2009-06-18 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
WO-2004111019-A2 PROTECTIVE GROUPS CLEAVABLE BY SERUMAL ALBUMINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-12-23 WO disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
CN-1273585-A Substituted 3- (1, 2-benzisothiazole or isoxazol-5-yl) -substituted pyrimidines as herbicides AMERICAN CYANAMID CO (US) 2000-11-15 CN disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 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 (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-11932645-B2 Substituted pyrazolo[1,5-a]pyrimidines and their use in the treatment of medical disorders PARK7, PNP, GAA MAPT 62/4885MAOB 94/4885NOS1 3401/4885
US-11400095-B2 Substituted imidazo[1,5-a]pyrimidines and their use in the treatment of medical disorders GBA1, GAA, SNCA MAPT 80/4885MAOB 102/4885NOS1 3914/4885
US-20250066364-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, PNP, GAA MAPT 62/4885MAOB 94/4885NOS1 3401/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 MAPT 4590/4885MAOB 4624/4885NOS1 4147/4885

“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.