SCHEMBL801079

SCHEMBL801079

Cc1cc([N+](=O)[O-])cnc1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
GPR35 Q9HC97 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.40

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
SCHEMBL29606539 0.80 ALDH1A1 (0.50) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL27579425 0.80 ALDH1A1 (0.47) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL3942261 0.80 ALDH1A1 (0.50) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL2178791 0.78 ALDH1A1 (0.50) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL30557784 0.78 ALDH1A1 (0.50) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL14659678 0.78 ALDH1A1 (0.44) ALDH1A1GPR35TDP1HTTMEN1
Ammonia Solution, Strong SCHEMBL27652614 0.78 ALDH1A1 (0.48) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL12065144 0.78 ALDH1A1 (0.48) ALDH1A1GPR35TDP1TSHRHTT
SCHEMBL1817196 0.78 HTT (0.50) ALDH1A1TDP1HTTGAAMEN1
SCHEMBL31481312 0.77 ALDH1A1 (0.44) ALDH1A1GPR35TDP1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459299-A Gamma site deuteration method of fatty amine compound 浙大宁波理工学院 2024-08-09 CN claimed
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2026-02-19 US disclosed
EP-4558505-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-05-28 EP disclosed
CN-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 CN disclosed
CN-119742448-A High-voltage additive for lithium battery electrolyte, electrolyte and lithium ion battery 中国科学院宁波材料技术与工程研究所 2025-04-01 CN disclosed
CN-118459299-A Gamma site deuteration method of fatty amine compound 浙大宁波理工学院 2024-08-09 CN disclosed
WO-2024020534-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2024-01-25 WO disclosed
WO-2023147545-A2 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-08-03 WO disclosed
EP-3412675-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2018-12-12 EP disclosed
CN-105916857-B Pyrrolopyrrolone derivatives and its purposes as BET inhibitor 诺华股份有限公司 2018-06-22 CN disclosed
WO-2010014687-A1 SUBSTITUTED CARBAMATE DERIVATIVES AS MODULATORS OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-04 WO disclosed
WO-2010014280-A1 PYRAZINONE MODULATOR OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-04 WO disclosed
US-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
EP-2125734-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-12-02 EP disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN 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-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 ALDH1A1 2086/4885GPR35 60/4885TDP1 4713/4885
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME CCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MALT1 ALDH1A1 2214/4885GPR35 2031/4885TDP1 3708/4885

“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.