SCHEMBL3557935

SCHEMBL3557935

Clc1ccc2cnoc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.44
DYRK1A Q13627 1/20 0.44
PIK3CG P48736 1/20 0.41
CYP2A6 P11509 1/20 0.38
PSMB8 P28062 3/20 0.38
PSMB5 P28074 1/20 0.38
TDO2 P48775 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 2/20 0.35
NR4A2 P43354 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
EPHX2 P34913 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL9346733 0.83 TRPM5 (0.43) NOS1DYRK1APIK3CGCYP2A6PSMB8
SCHEMBL16595870 0.76 NOS1 (0.45) NOS1DYRK1ACYP2A6CYP1A2MAPT
SCHEMBL2007740 0.74 PPARD (0.33)
SCHEMBL29442070 0.74 KDM4E (0.44) PSMB8LMNAMAPTALOX15
SCHEMBL29941780 0.74 CA12 (0.44) LMNACYP1A2MAPTALOX15CA12
SCHEMBL1837755 0.74 CA12 (0.44) LMNACYP1A2MAPTALOX15CA12
SCHEMBL9342433 0.73 AHR (0.37) AHRTRPM5
SCHEMBL9346645 0.72 TDO2 (0.44) DYRK1ATDO2LMNACYP1A2AHR
SCHEMBL24463586 0.69 CYP1A1 (0.34)
SCHEMBL21267380 0.69 AKR1C3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777478-B Synthetic method of para-acylaniline sulfonamide compound 五邑大学 2022-10-28 CN disclosed
CN-112552235-B Synthetic method of 2, 3-diacyl quinoline compound 江南大学 2021-12-28 CN disclosed
CN-110483511-B Synthetic method of quinazolinone polycyclic compound 常州大学 2021-06-22 CN disclosed
CN-112552235-A Synthetic method of 2, 3-diacyl quinoline compound 江南大学 2021-03-26 CN disclosed
CN-111777478-A Synthetic method of para-acylaniline sulfonamide compound 五邑大学 2020-10-16 CN disclosed
CN-110483511-A A kind of synthetic method of quinazolinone polycyclic compounds UNIV CHANGZHOU 2019-11-22 CN disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
EP-0573467-B1 NEUROLEPTIC PERHYDRO-1H-PYRIDO 1,2-a]PYRAZINES PFIZER (US) 1995-05-31 EP disclosed
EP-0420464-B1 3-Isoxazolone derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1994-07-13 EP disclosed
US-5321037-A Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants SANKYO COMPANY, LIMITED (JP) 1994-06-14 US disclosed
EP-0573467-A1 NEUROLEPTIC PERHYDRO-1H-PYRIDO 1,2-a]PYRAZINES. PFIZER (US) 1993-12-15 EP disclosed
US-5157034-A Neuroleptic perhydro-1H-pyrido[1,2-a]pyrazines PFIZER INC. (US) 1992-10-20 US disclosed
WO-1992015580-A1 NEUROLEPTIC PERHYDRO-1H-PYRIDO[1,2-a]PYRAZINES PFIZER INC. (US) 1992-09-17 WO disclosed
EP-0335723-B1 ISOXAZOLE DERIVATIVES FOR USE AS CEREBRO-ACTIVE DRUGS AND CENTRAL MUSCLE RELAXANTS Sankyo Company Limited (JP) 1991-12-04 EP disclosed
EP-0420464-A2 3-Isoxazolone derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1991-04-03 EP disclosed
EP-0335723-A1 Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants Sankyo Company Limited (JP) 1989-10-04 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 NOS1 3376/4885DYRK1A 2836/4885PIK3CG 3749/4885

“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.