SCHEMBL2632840

SCHEMBL2632840

CCc1nccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.44
ADRB1 P08588 1/20 0.40
PKM P14618 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.38
OGA O60502 1/20 0.37
ACVR1 Q04771 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MST1R Q04912 1/20 0.36
TYRO3 Q06418 1/20 0.36
KIT P10721 1/20 0.36
CDK8 P49336 1/20 0.36
GRM5 P41594 1/20 0.36
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36
SYK P43405 5/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL18647595 0.85 MBOAT4 (0.42) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL27573575 0.82 MBOAT4 (0.40) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL1157053 0.82 SYK (0.36) MBOAT4SYK
SCHEMBL15120064 0.81 MBOAT4 (0.42) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL3364013 0.80 MBOAT4 (0.41) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL18115234 0.80 SORD (0.46) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL1509561 0.80 LOXL2 (0.52) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL28910755 0.80 MBOAT4 (0.41) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL12088819 0.79 MBOAT4 (0.41) MBOAT4ADRB1PKMLOXL2LOX
SCHEMBL21503712 0.79 KCNH2 (0.40) MBOAT4ADRB1PKMACVR1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed
US-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-01-28 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-09-22 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 US disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 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 (11 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-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents DDT, ACHE, TST MBOAT4 4600/4885ADRB1 1024/4885PKM 1704/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 MBOAT4 1110/4885ADRB1 198/4885PKM 2172/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B MBOAT4 1197/4885ADRB1 453/4885PKM 3863/4885
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 MBOAT4 2646/4885ADRB1 363/4885PKM 1493/4885
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MBOAT4 4642/4885ADRB1 1798/4885PKM 322/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 MBOAT4 1146/4885ADRB1 2819/4885PKM 572/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 MBOAT4 4794/4885ADRB1 200/4885PKM 3476/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK MBOAT4 3850/4885ADRB1 312/4885PKM 1775/4885
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, HSD17B14 MBOAT4 743/4885ADRB1 2699/4885PKM 481/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 MBOAT4 4269/4885ADRB1 2128/4885PKM 1047/4885
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS GLS2, RECQL, PYGL MBOAT4 4313/4885ADRB1 153/4885PKM 1076/4885

“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.