SCHEMBL3936798

SCHEMBL3936798

CONC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
CES1 P23141 1/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL11747923 0.83 MAPK1 (0.58) MAPTRAB9ANPC1TSHRMAPK1
SCHEMBL13900098 0.83 NPC1 (0.55) MAPTRAB9ANPC1TSHRMAPK1
SCHEMBL28185992 0.81 RAB9A (0.54) MAPTRAB9ANPC1TSHRMAPK1
SCHEMBL27468736 0.81 NPC1 (0.65) MAPTRAB9ANPC1TSHRMAPK1
SCHEMBL14861314 0.81 MAPT (0.60) MAPTRAB9ANPC1MAPK1MEN1
SCHEMBL11502608 0.80 KMT2A (0.63) MAPTRAB9ANPC1TSHRMEN1
SCHEMBL306161 0.79 POLB (0.81) TSHRMAPK1MEN1KMT2APOLB
SCHEMBL223451 0.79 MAPT (0.63) MAPTRAB9ANPC1TSHRMAPK1
SCHEMBL165760 0.79 TSHR (0.62) MAPTRAB9ANPC1TSHRMAPK1
SCHEMBL28454639 0.79 MAPT (0.53) MAPTRAB9ANPC1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036715-A 2, 4-Diarylaminopyrimidine derivative containing benzodithioryl, and pharmaceutical composition and application thereof 盐城工业职业技术学院 2026-05-15 CN disclosed
CN-118047779-B Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2025-02-11 CN disclosed
CN-118047779-A Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2024-05-17 CN disclosed
CN-113735756-B Method for synthesizing chiral 3, 3-disubstituted isoindolinone compound by rhodium catalysis 陕西师范大学 2024-04-26 CN disclosed
CN-116574056-A Preparation method of fluoroisoquinolone compound 五邑大学 2023-08-11 CN disclosed
CN-113735756-A Method for synthesizing chiral 3, 3-disubstituted isoindolinone compound by rhodium catalysis 陕西师范大学 2021-12-03 CN disclosed
CN-110305062-B Substituted isoquinolone compound and synthesis method and application thereof 广州医科大学 2021-01-05 CN disclosed
CN-107082761-B Phenanthridinone or benzophenanthridinone derivative and synthesis method thereof 上海大学 2020-04-03 CN disclosed
CN-110305062-A Substituted isoquinoline ketone compounds and its synthetic method and application 广州医科大学 2019-10-08 CN disclosed
CN-103288711-B The preparation method of 3-hydroxyl-2-alkoxyl group-3-phenyl isoindole-1 (2H)-one analog derivative TIANJIN UNIVERSITY (CN) 2015-07-29 CN disclosed
CN-103288711-A Preparation method of 3-hydroxy-2-alkoxy-3-phenyl-isoindol-1(2H)-ketone derivatives UNIV TIANJIN 2013-09-11 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAPT 517/4885RAB9A 1648/4885NPC1 778/4885

“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.