SCHEMBL10314841

SCHEMBL10314841

CC(C)OCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
PNMT P11086 2/20 0.56
MAOB P27338 4/20 0.49
ENPP2 Q13822 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
MAOA P21397 2/20 0.47
TAAR1 Q96RJ0 3/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TACR1 P25103 1/20 0.45

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
SCHEMBL646907 0.86 IDO1 (0.42) CYP3A4IDO1AGXTPNMTMAOA
SCHEMBL25671333 0.85 CYP3A4 (0.55) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL18596694 0.81 CYP3A4 (0.55) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL14814484 0.81 CYP3A4 (0.50) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL27900596 0.81 CYP3A4 (0.50) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL14814486 0.81 CYP3A4 (0.50) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL17069262 0.79 IDO1 (0.52) CYP3A4IDO1AGXTPNMTTSHR
SCHEMBL27813296 0.79 CYP3A4 (0.47) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL10226540 0.78 TP53 (0.39) IDO1AGXTTSHRTAAR1KDM4E
SCHEMBL8750484 0.78 IDO1 (0.60) IDO1MAOBMAOATAAR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 WO disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
US-9730913-B2 High affinity beta lactamase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-15 US disclosed
US-9730913-B2 High affinity beta lactamase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-15 US disclosed
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US 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-20140256778-A1 HIGH AFFINITY BETA LACTAMASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-11 US disclosed
US-20140256778-A1 HIGH AFFINITY BETA LACTAMASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-11 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA CYP3A4 4792/4885IDO1 1084/4885AGXT 3914/4885
US-20140256778-A1 HIGH AFFINITY BETA LACTAMASE INHIBITORS ALPI, GUSB, LCT CYP3A4 671/4885IDO1 1196/4885AGXT 564/4885
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT CYP3A4 310/4885IDO1 199/4885AGXT 533/4885
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 CYP3A4 3185/4885IDO1 1914/4885AGXT 1789/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 CYP3A4 3185/4885IDO1 1914/4885AGXT 1789/4885
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 CYP3A4 3758/4885IDO1 2330/4885AGXT 3029/4885
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE CYP3A4 4808/4885IDO1 2887/4885AGXT 3081/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 CYP3A4 899/4885IDO1 1035/4885AGXT 3389/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CYP3A4 175/4885IDO1 1238/4885AGXT 926/4885
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO CYP3A4 3246/4885IDO1 584/4885AGXT 1426/4885

“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.