SCHEMBL171203

SCHEMBL171203

CCc1ccc(Cl)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EGFR P00533 1/20 0.41
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
P2RX7 Q99572 6/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
NLRP1 Q9C000 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
CTRC Q99895 1/20 0.39

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
SCHEMBL11518880 0.84 HDAC3 (0.42) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL15093979 0.83 CYP3A4 (0.48) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12603786 0.83 ALOX5 (0.41) CYP3A4CYP1A2CYP2C19
SCHEMBL8337975 0.82 CYP3A4 (0.40) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL998743 0.81 CYP3A4 (0.43) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL27628619 0.81 CYP3A4 (0.43) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8418306 0.81 CYP3A4 (0.48) CYP3A4IDO1POLBGAALMNA
SCHEMBL3782085 0.80 IDO1 (0.44) CYP3A4IDO1MAPK1CYP1A2CYP2C9
SCHEMBL3162880 0.79 IDO1 (0.61) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL193074 0.79 CYP3A4 (0.46) CYP3A4HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
EP-4005572-A1 BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2022-06-01 EP disclosed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2022-01-04 US disclosed
US-20210395243-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-12-23 US disclosed
US-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF NORTHWESTERN UNIVERSITY 2021-09-09 US disclosed
WO-2021158463-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 WO disclosed
US-20210220376-A1 ADDICTION TREATMENT OF AN ALCOHOL-CONSUMING PATIENT POPULATION AMYGDALA NEUROSCIENCES, INC. (US) 2021-07-22 US disclosed
US-20210145844-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2021-05-20 US disclosed
WO-2008019477-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 WO disclosed
US-20080032981-A1 ARYL N-CYANOGUANIDINES AND METHODS RELATED THERETO MIGENIX CORP. (US) 2008-02-07 US disclosed
WO-2007131350-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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 (12 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-20210145844-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION CHRNA2, ALDH2, ALDH1A1 CYP3A4 630/4885HDAC3 707/4885HDAC1 298/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE CYP3A4 1630/4885HDAC3 1569/4885HDAC1 2633/4885
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 CYP3A4 180/4885HDAC3 409/4885HDAC1 360/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CYP3A4 284/4885HDAC3 1862/4885HDAC1 2514/4885
US-20080032981-A1 ARYL N-CYANOGUANIDINES AND METHODS RELATED THERETO COX5A, CA5A, COX5B CYP3A4 244/4885HDAC3 2245/4885HDAC1 1953/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP3A4 2610/4885HDAC3 2341/4885HDAC1 1943/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 CYP3A4 973/4885HDAC3 1296/4885HDAC1 1840/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CYP3A4 266/4885HDAC3 1721/4885HDAC1 2470/4885
US-20210395243-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, DDT CYP3A4 476/4885HDAC3 2587/4885HDAC1 2876/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 CYP3A4 3382/4885HDAC3 1205/4885HDAC1 823/4885
US-20210220376-A1 ADDICTION TREATMENT OF AN ALCOHOL-CONSUMING PATIENT POPULATION ADH1A, ADH1C, ALDH1A1 CYP3A4 605/4885HDAC3 1140/4885HDAC1 233/4885
US-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF TGM2, TGM3, TGM6 CYP3A4 2580/4885HDAC3 1245/4885HDAC1 440/4885

“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.