SCHEMBL4935875

SCHEMBL4935875

CCCC(Br)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PGR P06401 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
CES2 O00748 5/20 0.44
CES1 P23141 5/20 0.44

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
SCHEMBL2823791 1.00 SLC6A2 (0.53) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL648332 0.89 CES2 (0.47) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL1248513 0.87 LCK (0.55) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL11754693 0.86 LCK (0.58) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL2871593 0.86 LCK (0.58) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL2336670 0.84 PGR (0.52) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL17644172 0.83 SLC6A2 (0.54) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL9449271 0.83 NPC1 (0.49) SLC6A2SLC6A3PGRADRA2AADRA2B
SCHEMBL4937398 0.83 SLC6A3 (0.54) SLC6A2SLC6A3ADRA2BNPC1RAB9A
SCHEMBL4935111 0.83 SLC6A3 (0.56) SLC6A2SLC6A3HTTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961255-B2 Imidazoles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-03-30 US disclosed
US-20200299303-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-24 US disclosed
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 US disclosed
US-10562914-B2 Imidazoles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-02-18 US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 US disclosed
US-20190152987-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-05-23 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20110294822-A1 Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof NHWA PHARMA. CORPORATION (CN) 2011-12-01 US disclosed
US-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) 2008-09-25 US disclosed
EP-1673375-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-Sipsy (FR) 2006-06-28 EP disclosed
WO-2005110955-A1 SUBSTITUTED ACETOPHENOME AS MS REAGENTS GE HEALTHCARE BIO-SCIENCES AB (SE) 2005-11-24 WO disclosed
WO-2005035540-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-SIPSY (FR) 2005-04-21 WO disclosed
EP-0073345-A2 Sydnonimine derivatives, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-03-09 EP disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 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-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A3 3/4885PGR 833/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC SLC6A2 9/4885SLC6A3 18/4885PGR 4375/4885
US-20190152987-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, DOT1L SLC6A2 3915/4885SLC6A3 4069/4885PGR 2355/4885
US-20200299303-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A SLC6A2 3896/4885SLC6A3 3970/4885PGR 2441/4885
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 SLC6A2 969/4885SLC6A3 1323/4885PGR 2879/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 SLC6A2 4571/4885SLC6A3 4310/4885PGR 1982/4885
US-10562914-B2 Imidazoles as histone demethylase inhibitors KDM1B, KDM1A, DOT1L SLC6A2 3915/4885SLC6A3 4069/4885PGR 2355/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 SLC6A2 434/4885SLC6A3 367/4885PGR 3188/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 SLC6A2 4570/4885SLC6A3 4307/4885PGR 1958/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 SLC6A2 4536/4885SLC6A3 4221/4885PGR 1779/4885
US-20110294822-A1 Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof OPRL1, OPRK1, OPRD1 SLC6A2 1800/4885SLC6A3 2006/4885PGR 699/4885
US-10961255-B2 Imidazoles as histone demethylase inhibitors DOT1L, KDM1B, KDM1A SLC6A2 3896/4885SLC6A3 3970/4885PGR 2441/4885

“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.