SCHEMBL2328155

SCHEMBL2328155

NC(CO)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
MAPT P10636 3/20 0.41
EPHX2 P34913 1/20 0.41
EPHX1 P07099 2/20 0.40
SLC7A5 Q01650 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SCN9A Q15858 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL15797863 1.00 PDE2A (0.42) PDE2AALDH1A1MAOBAOC3MAPT
SCHEMBL8515750 1.00 PDE2A (0.42) PDE2AALDH1A1MAOBAOC3MAPT
Hydrochloric Acid SCHEMBL15511448 0.98 ALDH1A1 (0.44) PDE2AALDH1A1MAOBAOC3MAPT
Hydrochloric Acid SCHEMBL15511450 0.98 ALDH1A1 (0.44) PDE2AALDH1A1MAOBAOC3MAPT
SCHEMBL28447540 0.83 SLC7A5 (0.44) PDE2AALDH1A1MAOBAOC3MAPT
SCHEMBL1727845 0.81 PDE2A (0.50) PDE2AALDH1A1SLC7A5SLC6A2SLC6A4
SCHEMBL1729820 0.81 PDE2A (0.50) PDE2AALDH1A1SLC7A5SLC6A2SLC6A4
SCHEMBL9209206 0.81 PDE2A (0.50) PDE2AALDH1A1SLC7A5SLC6A2SLC6A4
SCHEMBL14981122 0.81 ANPEP (0.44) PDE2AALDH1A1MAOBAOC3MAPT
Ammonia Solution, Strong SCHEMBL5380136 0.80 PDE2A (0.49) PDE2AALDH1A1SLC7A5SLC6A2SLC6A4

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
US-20200283435-A1 Autotaxin Inhibitory Compunds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-09-10 US disclosed
US-10654846-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-19 US disclosed
EP-3160943-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-09-18 EP disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
EP-3160943-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2017-05-03 EP disclosed
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
CN-106414410-A Molecules having certain pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2017-02-15 CN disclosed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 WO disclosed
CN-102282142-A Substituted aryl compounds and their use 2011-12-14 CN disclosed
CN-102282143-A Heterocyclically substituted aryl compounds and application thereof 2011-12-14 CN disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO 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 (4 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-10654846-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 PDE2A 2580/4885ALDH1A1 2181/4885MAOB 314/4885
US-20200283435-A1 Autotaxin Inhibitory Compunds ENPP2, RNASE1, ATXN10 PDE2A 2822/4885ALDH1A1 2473/4885MAOB 372/4885
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL PDE2A 2712/4885ALDH1A1 604/4885MAOB 1359/4885
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS ENPP2, RNASE1, ATXN10 PDE2A 2580/4885ALDH1A1 2181/4885MAOB 314/4885

“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.