SCHEMBL5741534

SCHEMBL5741534

Nc1cccc(Cl)c1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
PBRM1 Q86U86 1/20 0.48
ALDH1A1 P00352 4/20 0.48
JAK1 P23458 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK14 Q16539 3/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 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
SCHEMBL11858611 0.86 MAPT (0.65) MAPTGAAPBRM1ALDH1A1ATM
SCHEMBL1042856 0.86 ALDH1A1 (0.59) MAPTGAAPBRM1ALDH1A1ATM
SCHEMBL8956556 0.84 GAA (0.48) MAPTGAAALDH1A1JAK1ATM
SCHEMBL147437 0.82 ALDH1A1 (0.52) PBRM1ALDH1A1JAK1TSHRHSD17B10
Hydrochloric Acid SCHEMBL8993445 0.80 ALDH1A1 (0.50) PBRM1ALDH1A1JAK1TSHRHSD17B10
SCHEMBL4849227 0.79 MAPT (0.48) MAPTGAAPBRM1ALDH1A1ATM
SCHEMBL28135536 0.79 ALDH1A1 (0.62) MAPTGAAPBRM1ALDH1A1ATM
SCHEMBL11869293 0.78 MAPT (0.57) MAPTGAAPBRM1ALDH1A1ATM
SCHEMBL10937897 0.78 MAPT (0.74) MAPTGAAPBRM1ALDH1A1ATM
SCHEMBL533764 0.78 ALDH1A1 (0.50) MAPTGAAALDH1A1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707830-A Method for preparing tetraethyl mikrolon 天津久日新材料股份有限公司 2021-04-27 CN disclosed
EP-1157006-B1 PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-10-25 EP disclosed
CN-1131212-C Phenyl-and pyridinyl derivatives HOFFMANN LA ROCHE (CH) 2003-12-17 CN disclosed
US-6596773-B2 Central nervous system disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-20020111367-A1 Phenyl substituted pyridine and benzene derivatives BOS MICHAEL (CA) 2002-08-15 US disclosed
US-6407111-B1 SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
CN-1085667-C Substituted tetracyclic azepine derivatives having affinity for 5-HT2 receptors JANSSEN PHARMACEUTICA NV (BE) 2002-05-29 CN disclosed
CN-1341101-A Phenyl-and pyridinyl derivatives HOFFMANN LA ROCHE (CH) 2002-03-20 CN disclosed
EP-1157006-A2 PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP disclosed
EP-0789701-B1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2001-02-07 EP disclosed
US-5552399-A TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
US-5532374-A Method of preparation of bis-quinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-07-02 US disclosed
WO-1996014320-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-17 WO disclosed
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
EP-0326526-A1 Aminoketones of substituted dibenzo- and pyridobenzo-azepinones and pharmaceutical compositions ISTITUTO DE ANGELI S.p.A. (IT) 1989-08-02 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP 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-20020111367-A1 Phenyl substituted pyridine and benzene derivatives BDKRB1, BAK1, PBK MAPT 4521/4885GAA 2255/4885PBRM1 980/4885

“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.