SCHEMBL6745557

SCHEMBL6745557

N#Cc1cc[n+]([O-])cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
VCAM1 P19320 2/20 0.34
DYRK1A Q13627 1/20 0.34
SLC22A12 Q96S37 2/20 0.31
CYP11B2 P19099 1/20 0.31
AR P10275 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL20103035 0.75 TRPV4 (0.39) TRPV4VCAM1DYRK1ASLC22A12CYP11B2
SCHEMBL28098752 0.72
SCHEMBL296498 0.71 TSHR (0.45)
SCHEMBL27997326 0.67
SCHEMBL4890006 0.67 AR (0.40) SLC22A12AR
SCHEMBL6169224 0.67 GPR84 (0.41)
SCHEMBL6998793 0.66 HTT (0.46) DYRK1A
SCHEMBL8652227 0.66 VCAM1 (0.45) VCAM1
SCHEMBL2681094 0.63 ALDH1A1 (0.35)
SCHEMBL29517818 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431345-A Compound for regulating 15-PGDH activity and preparation method thereof 赛诺哈勃药业(成都)有限公司 2025-02-14 CN disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed
EP-0822930-B1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-07-28 EP disclosed
US-5763463-A Pyridine compounds which are useful as pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-06-09 US disclosed
EP-0822930-A1 PYRIDINE DERIVATIVE AND PESTICIDE KumaiI Chemical Industry Co., Ltd. (JP) 1998-02-11 EP disclosed
WO-1996033975-A1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-31 WO 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 TRPV4 440/4885VCAM1 195/4885DYRK1A 4121/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 TRPV4 4561/4885VCAM1 1831/4885DYRK1A 641/4885

“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.