SCHEMBL2073722

SCHEMBL2073722

[N-]=[N+]=CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MAOB P27338 3/20 0.44
CXCL12 P48061 2/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL28605102 0.79 ALDH1A1 (0.61) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL9448994 0.79 ALDH1A1 (0.61) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL9449020 0.79 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL9449036 0.79 ALDH1A1 (0.47) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL9448908 0.79 ALDH1A1 (0.61) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL9448906 0.79 TSHR (0.52) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL82420 0.78 ALDH1A1 (0.60) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL30345150 0.78 ALDH1A1 (0.47) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL8715637 0.77 ALDH1A1 (0.53) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL8869550 0.76 ALDH1A1 (1.00) ALDH1A1MEN1HTTKMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976621-A ALPHA-DIAZOACETOPHENONES, LEWIS ACID CATALYST SNAM PROGETTI S.P.A. (IT) 1976-08-24 US claimed
CN-118184558-A Thiophenylamide compound, and preparation method and application thereof 五邑大学 2024-06-14 CN disclosed
US-11840504-B2 Method for preparing perfluoroalkyl sulfinate ester SOOCHOW UNIVERSITY (CN) 2023-12-12 US disclosed
CN-113248458-B Preparation method of alpha-carbonyl amide compound 陕西省煤田地质集团有限公司 2022-09-27 CN disclosed
CN-113248458-A Preparation method of alpha-carbonyl amide compound 陕西省煤田地质集团有限公司 2021-08-13 CN disclosed
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO disclosed
EP-0466730-B1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1993-07-21 EP disclosed
US-5220021-A Geminal bisphosphonic acids and derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1993-06-15 US disclosed
EP-0466730-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1992-01-22 EP disclosed
WO-1990012017-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1990-10-18 WO disclosed
US-4609495-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 US disclosed
US-4548815-A SYNERGISTIC MIXTURE OF AN OXAPENICILLIN AND A PENICILLIN BEECHAM GROUP P.L.C. (GB) 1985-10-22 US disclosed
US-4228174-A ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1980-10-14 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 (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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B ALDH1A1 2953/4885MEN1 1063/4885HTT 122/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ALDH1A1 2953/4885MEN1 1063/4885HTT 122/4885
US-11840504-B2 Method for preparing perfluoroalkyl sulfinate ester TERT, TST, CTH ALDH1A1 210/4885MEN1 4812/4885HTT 1423/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ALDH1A1 2953/4885MEN1 1063/4885HTT 122/4885

“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.