SCHEMBL671296

SCHEMBL671296

Nc1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 1/20 0.37
HASPIN Q8TF76 1/20 0.37
DHFR P00374 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL29391396 1.00 TDP1 (0.45) TDP1TSHRALDH1A1MAPTCYP3A4
Alcohol SCHEMBL27653568 0.89 MAPT (0.41) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL110092 0.83 MAPT (0.47) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL29677457 0.83 MAPT (0.47) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL27993405 0.82 MAPT (0.38) TDP1TSHRALDH1A1MAPTCYP3A4
Ammonia Solution, Strong SCHEMBL28178631 0.82 MAPT (0.46) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL7006193 0.81 CTSB (0.43) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL2034272 0.79 TDP1 (0.42) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL1582439 0.79 TDP1 (0.42) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL539616 0.79 NOS3 (0.48) TDP1TSHRALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817494-B A kind of method of one pot process flupirtine maleate 江苏海岸药业有限公司 2017-09-29 CN claimed
CN-104817494-A Method for synthesizing flupirtine maleate by use of one-pot process JIANGSU COAST PHARMACEUTICAL CO LTD 2015-08-05 CN claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2025109475-A1 SHP-1 AGONISTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-05-30 WO disclosed
CN-114957107-B Method for continuously synthesizing 2, 6-diamino-3, 5-dinitropyridine by using micro-channel 华东理工大学 2024-10-22 CN disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
CN-117924278-A Diamine monomer, polyimide polymer, aromatic polyamide polymer, and preparation method and application thereof 四川大学 2024-04-26 CN disclosed
CN-114957107-A Method for continuously synthesizing 2, 6-diamino-3, 5-dinitropyridine by micro-channel 华东理工大学 2022-08-30 CN disclosed
CN-105315199-B N-pyridine aryloxy phenoxy carboxylic acid derivative and preparation method and application thereof 湖南化工研究院有限公司 2020-11-20 CN disclosed
US-10829511-B1 Molecular recognition systems with pyrimidine analog pairing BENNER STEVEN A (US) 2020-11-10 US disclosed
WO-2020120576-A1 p38α AUTOPHOSPHORYLATION INHIBITORS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2020-06-18 WO disclosed
US-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
CN-1048546-A Substituted imidazo-fused 6 unit heterocycle as angiotensin II antagonism medicine MERCK & CO INC (US) 1991-01-16 CN disclosed
EP-0257399-B1 HAIR DYEING COMPOSITION Beratungslabor für die kosmetische und pharmazeutische Industrie Dipl.-Ing. Karlheinz Schrader (DE) 1991-01-02 EP disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP disclosed
EP-0257399-A2 Hair dyeing composition Beratungslabor für die kosmetische und pharmazeutische Industrie Dipl.-Ing. Karlheinz Schrader (DE) 1988-03-02 EP disclosed
EP-0137524-B1 HAIR DYEING COMPOSITIONS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1988-01-20 EP disclosed
EP-0137524-A1 Hair dyeing compositions RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-04-17 EP disclosed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 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-10829511-B1 Molecular recognition systems with pyrimidine analog pairing DPYD, DTYMK, TYMS TDP1 253/4885TSHR 2708/4885ALDH1A1 3210/4885

“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.