SCHEMBL239454

SCHEMBL239454

CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.74
ALDH1A1 P00352 5/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
RAF1 P04049 1/20 0.61
MAPK1 P28482 1/20 0.61
GFER P55789 1/20 0.61
PAX8 Q06710 1/20 0.61
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSP90AA1 P07900 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
F2 P00734 1/20 0.55
PKM P14618 1/20 0.53

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
SCHEMBL30811551 1.00 VCAM1 (0.74) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL16950942 0.87 VCAM1 (0.71) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL22749329 0.86 VCAM1 (0.56) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL340544 0.86 MAPT (0.58) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL1258621 0.85 VCAM1 (1.00) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL12555579 0.84 VCAM1 (0.67) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL8625340 0.84 VCAM1 (0.96) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL922714 0.84 VCAM1 (0.77) VCAM1ALDH1A1MAPTHPGDLMNA
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.84 VCAM1 (0.77) VCAM1ALDH1A1MAPTHPGDLMNA
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.84 VCAM1 (0.77) VCAM1ALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444436-A Synthesis method of aminophenylpyrazole compound 曲靖师范学院 2023-07-18 CN claimed
CN-108863980-A A method of synthesis 1- (5- benzothiazolyl) ethyl ketone 浙江工业大学 2018-11-23 CN claimed
EP-4524129-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF Maxunitech Inc. (CN) 2025-03-19 EP disclosed
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 US disclosed
WO-2024131772-A1 OXIME-CONTAINING COMPOUND HAVING STING INHIBITORY EFFECT, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 杭州中美华东制药有限公司 2024-06-27 WO disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed
CN-117069614-A Preparation method and application of 2-substituted aryl acetonitrile compound 合力科技股份有限公司 2023-11-17 CN disclosed
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
CN-116444436-A Synthesis method of aminophenylpyrazole compound 曲靖师范学院 2023-07-18 CN disclosed
US-11370762-B2 Vinylarene derivative and application SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2022-06-28 US disclosed
EP-0288898-A1 Substituted chinoxalyl-imidazolidine-2,4-diones, process for their preparation, their use as medicaments and pharmacological preparations HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4312990-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-26 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3948911-A ANTIBACTERIAL, ANIMAL GROWTH REGULATORS PFIZER INC. (US) 1976-04-06 US disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 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 (3 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF CYP1B1, CYP1A2, CYP2C9 VCAM1 4813/4885ALDH1A1 209/4885MAPT 3935/4885
US-11370762-B2 Vinylarene derivative and application IDO1, IDO2, INMT VCAM1 118/4885ALDH1A1 233/4885MAPT 1469/4885

“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.