SCHEMBL144711

SCHEMBL144711

FC(F)(F)[CH]Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
CES1 P23141 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ARG2 P78540 1/20 0.40
CALM1 P0DP23 1/20 0.39
EPHX2 P34913 1/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.34
PRSS1 P07477 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
SCHEMBL8384526 0.87 TAAR1 (0.45) MAOBCA1CA2TSHRALDH1A1
SCHEMBL29718928 0.76 MAOB (0.61) MAOBCES1CA1CA2ARG2
SCHEMBL2915950 0.76 ALDH1A1 (0.42) MAOBCES1ALDH1A1LOXL2HPGD
SCHEMBL23524584 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL315315 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL6642845 0.74 CYP1A2 (0.48)
SCHEMBL5610556 0.73 FAAH (0.44) MAOBCES1IDO1FAAH
SCHEMBL28176770 0.72 MAOB (0.54) MAOBCES1CA1CA2ARG2
SCHEMBL15111556 0.71 MAOB (0.48) MAOBCES1CA1CA2ARG2
Allylbenzene SCHEMBL27591885 0.71 MAOB (0.48) MAOBCES1CA1CA2ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111320618-A Novel anti-staphylococcus small molecule compound and preparation method and application thereof 好医生药业集团有限公司 2020-06-23 CN claimed
US-10071984-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-11 US claimed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 US claimed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 US claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
JP-2011528039-A 2011-11-10 JP claimed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO claimed
EP-0891343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
EP-0550113-B1 Triazolopyrimidine derivatives with fungicidal activity SHELL INT RESEARCH (NL) 1997-10-15 EP claimed
WO-1997036886-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
US-5593996-A FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1997-01-14 US claimed
US-5389612-A Treating infections caused by clostridium histolyticum and pseudomonas aeruginosa; enzyme inhibitors COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-02-14 US claimed
EP-0550113-A2 Triazolopyrimidine derivatives with fungicidal activity SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-07-07 EP claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US claimed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 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 (1 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-10071984-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B MAOB 607/4885CES1 564/4885CA1 1871/4885

“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.