SCHEMBL207632

SCHEMBL207632

Clc1ccc2o[c]cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
AHR P35869 5/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 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
GPR35 Q9HC97 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PSMB8 P28062 1/20 0.34

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
SCHEMBL207736 0.83 CYP2A6 (0.38) MAOBKDM4EKMT2AAHRCYP2A6
SCHEMBL4146968 0.74 ALDH1A1 (0.41) KDM4EKMT2ACYP1A2LMNAMAPT
SCHEMBL3378032 0.74 CA12 (0.42) MAOBKDM4EKMT2ACYP1A2LMNA
SCHEMBL146387 0.74 CYP2A6 (0.40) KDM4EKMT2AAHRCYP2A6MAPT
SCHEMBL206928 0.74 CYP1A2 (0.38) AHRCYP2A6CYP1A2CA1CA2
SCHEMBL207520 0.74 CYP2A6 (0.44) MAOBKDM4ECYP2A6CYP1A2MAPT
SCHEMBL10431167 0.73 AHR (0.38) AHRMAPK1
SCHEMBL206945 0.72 ADCY1 (0.47) MAOBKDM4EAHRLMNAMAPT
SCHEMBL533008 0.71 AKR1C3 (0.32)
SCHEMBL533282 0.69 CYP2A6 (0.47) MAOBKDM4ECYP2A6CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164975-A Quaternary ammonium salt oxazolidinone derivative and pharmaceutically acceptable salt thereof, preparation method and application 中国医学科学院医药生物技术研究所 2024-06-11 CN claimed
WO-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 WO claimed
US-11878981-B2 Substituted 1,2,4-oxadiazoles as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-01-23 US claimed
CN-113072467-B Substituted guanidino-containing derivative and application thereof in preparing osteoclast differentiation inhibitor 南方医科大学 2022-04-12 CN claimed
CN-110590708-B Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2021-08-17 CN claimed
CN-113072467-A Substituted guanidino-containing derivative and application thereof in preparing osteoclast differentiation inhibitor 南方医科大学 2021-07-06 CN claimed
CN-110590708-A Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2019-12-20 CN claimed
US-9375430-B2 Monoacylglycerol lipase inhibitors for the treatment of metabolic diseases and related disorders JANSSEN PHARMACEUTICA NV (BE) 2016-06-28 US claimed
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP claimed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO claimed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 US claimed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 WO claimed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 WO claimed
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US claimed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 WO claimed
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US claimed

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-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 MAOB 176/4885KDM4E 2148/4885KMT2A 4400/4885
US-11878981-B2 Substituted 1,2,4-oxadiazoles as TRPA1 inhibitors TRPA1, TRPV1, TRPV3 MAOB 2021/4885KDM4E 4668/4885KMT2A 4695/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP MAOB 998/4885KDM4E 2185/4885KMT2A 1476/4885

“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.