SCHEMBL2339964

SCHEMBL2339964

O=[C]C=Cc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2A6 P11509 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
MAPT P10636 4/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1B1 Q16678 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL2339963 1.00 CYP2C19 (0.42) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL3715295 0.78 CYP2A6 (0.44) KDM4EALDH1A1CYP2A6KMT2A
SCHEMBL3715296 0.78 CYP2A6 (0.44) KDM4EALDH1A1CYP2A6KMT2A
SCHEMBL196959 0.76 APP (0.52) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL2345016 0.76 NFE2L2 (0.48) ALDH1A1HPGDRAB9ACYP2A6MAPT
SCHEMBL11042248 0.76 APP (0.43) KDM4E
SCHEMBL3051230 0.76 APP (0.52) ALDH1A1RAB9AMAPTCYP1B1MEN1
SCHEMBL11042246 0.76 APP (0.43) KDM4E
SCHEMBL2345013 0.76 NFE2L2 (0.48) ALDH1A1HPGDRAB9ACYP2A6MAPT
SCHEMBL11047398 0.76 APP (0.33) ALDH1A1

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
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-9340517-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2016-05-17 US disclosed
EP-2257534-B1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2013-11-06 EP disclosed
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2013-08-29 US disclosed
US-8377925-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2013-02-19 US disclosed
US-8343958-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5-receptor antagonists MIMETICA PTY LTD (AU) 2013-01-01 US disclosed
US-20120141392-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2012-06-07 US disclosed
US-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2011-10-27 US disclosed
US-8008291-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5 receptor antagonists MIMETICA PTY LTD (AU) 2011-08-30 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 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 (5 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-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R CYP2C19 1402/4885KDM4E 1545/4885ALDH1A1 2430/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CYP2C19 1067/4885KDM4E 3039/4885ALDH1A1 2828/4885
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CYP2C19 1067/4885KDM4E 3039/4885ALDH1A1 2828/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R CYP2C19 1383/4885KDM4E 1387/4885ALDH1A1 2040/4885
US-20120141392-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC1R, MC5R, MC3R CYP2C19 916/4885KDM4E 3952/4885ALDH1A1 554/4885

“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.