SCHEMBL5018770

SCHEMBL5018770

CC(C)Cc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.56
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SLC6A3 Q01959 1/20 0.41
CYP2A13 Q16696 2/20 0.41
TSHR P16473 1/20 0.38

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
SCHEMBL13692532 0.83 PNMT (0.57) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL5805934 0.83 PNMT (0.52) PNMTGABRA1GABRB2TAAR1IDO1
SCHEMBL3885817 0.83 PNMT (0.57) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL18567935 0.83 PNMT (0.52) PNMTGABRA1GABRB2TAAR1IDO1
SCHEMBL30435689 0.82 SLC6A2 (0.53) PNMTGABRA1GABRB2TAAR1IDO1
SCHEMBL196980 0.82 SLC6A2 (0.53) PNMTGABRA1GABRB2TAAR1IDO1
SCHEMBL18648980 0.82 PNMT (0.50) PNMTTAAR1IDO1CYP1A2CYP3A4
SCHEMBL8090789 0.81 GABRA1 (0.52) PNMTGABRA1GABRB2IDO1CYP1A2
SCHEMBL10248486 0.81 GABRA1 (0.52) PNMTGABRA1GABRB2TAAR1CYP1A2
SCHEMBL19553768 0.81 PNMT (0.54) PNMTGABRA1GABRB2TAAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20220162203-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT VORONOI INC. (KR) 2022-05-26 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
US-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 WO disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 US disclosed
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 US disclosed
WO-2019136093-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-07-11 WO disclosed
US-8426345-B2 Method of drug design ALCHEMIA LIMITED (AU) 2013-04-23 US disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20090163373-A1 Method of Drug Design ALCHEMIA LIMITED (AU) 2009-06-25 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 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 (9 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-20220162203-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT ERBB4, ERBB2, EGFR PNMT 3817/4885GABRA1 2212/4885GABRB2 1869/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 PNMT 3226/4885GABRA1 2667/4885GABRB2 1652/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 PNMT 4275/4885GABRA1 1177/4885GABRB2 1411/4885
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 PNMT 1707/4885GABRA1 2988/4885GABRB2 2990/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PNMT 503/4885GABRA1 2543/4885GABRB2 3292/4885
US-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 PNMT 2532/4885GABRA1 3218/4885GABRB2 2775/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PNMT 2532/4885GABRA1 3218/4885GABRB2 2775/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR PNMT 3505/4885GABRA1 611/4885GABRB2 729/4885
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO PNMT 1583/4885GABRA1 4411/4885GABRB2 3798/4885

“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.