SCHEMBL10314840

SCHEMBL10314840

CC(C)OCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAOB P27338 5/20 0.44
TAAR1 Q96RJ0 3/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN9A Q15858 1/20 0.40
AOC3 Q16853 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.39
TACR1 P25103 1/20 0.38
HTR2C P28335 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
SCHEMBL647871 0.84 IDO1 (0.38) IDO1ALDH1A1
SCHEMBL20729407 0.82 IDO1 (0.50) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL28511671 0.81 PTPN1 (0.41) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL19805925 0.78 IDO1 (0.46) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL8308826 0.78 ALDH1A1 (0.49) IDO1ALDH1A1MAOBNPC1RAB9A
SCHEMBL15061192 0.78 IDO1 (0.46) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL6634917 0.77 ALDH1A1 (0.47) IDO1ALDH1A1MAOBNPC1RAB9A
SCHEMBL4807822 0.77 IDO1 (0.44) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL4807830 0.77 IDO1 (0.44) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL6635235 0.77 ALDH1A1 (0.47) IDO1ALDH1A1MAOBNPC1RAB9A

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-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-13 US disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 US disclosed
WO-2019071162-A2 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYROLIDINE DERIVATIVES BIOGEN INC. (US) 2019-04-11 WO disclosed
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 US disclosed
WO-2017127371-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNNYLIFE PHARMA INC. (US) 2017-07-27 WO disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-8853237-B2 Naphthyridinone analogs as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 US disclosed
US-7994167-B2 Pentafluorosulphanyl-substituted compound and its use for producing medicaments GRUENENTHAL GMBH (DE) 2011-08-09 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO disclosed
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments GRUENENTHAL GMGH (DE) 2009-05-28 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 (7 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-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX IDO1 360/4885MCL1 1895/4885ALDH1A1 831/4885
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 IDO1 2330/4885MCL1 4154/4885ALDH1A1 4461/4885
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE IDO1 2887/4885MCL1 2020/4885ALDH1A1 1392/4885
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments FIBP, PFAS, FPR3 IDO1 4634/4885MCL1 1401/4885ALDH1A1 4106/4885
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX IDO1 360/4885MCL1 1895/4885ALDH1A1 831/4885
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO IDO1 584/4885MCL1 155/4885ALDH1A1 2817/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX IDO1 360/4885MCL1 1895/4885ALDH1A1 831/4885

“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.