SCHEMBL4533993

SCHEMBL4533993

COc1ccc(Cl)c(OC)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.40
NQO2 P16083 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1B Q00975 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
SCHEMBL465567 0.86 ALDH1A1 (0.48) ERN1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL30831887 0.86 ALDH1A1 (0.48) ERN1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9246447 0.85 ALDH1A1 (0.43) ERN1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13101273 0.84 ALDH1A1 (0.46) ERN1ALDH1A1KDM4ETSHRCYP1A2
SCHEMBL1001988 0.84 ERN1 (0.48) ERN1ALDH1A1TSHRCYP1A2KMT2A
SCHEMBL29459689 0.84 ERN1 (0.48) ERN1ALDH1A1TSHRCYP1A2KMT2A
SCHEMBL2415640 0.82 ERN1 (0.44) ERN1ALDH1A1KDM4ETSHRCYP1A2
SCHEMBL11044764 0.81 ALDH1A1 (0.44) ERN1ALDH1A1KDM4ETSHRCYP1A2
SCHEMBL31395445 0.79 ERN1 (0.42) ERN1ALDH1A1KDM4ETSHRCYP1A2
SCHEMBL31280101 0.79 ALDH1A1 (0.42) ERN1ALDH1A1KDM4EHSD17B10TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383858-A Treat the derivative of the imidazo thiadiazoles and Imidazopyrazines of platelet aggregation 百时美施贵宝公司 2018-08-10 CN disclosed
CN-104583218-B Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 百时美施贵宝公司 2018-04-24 CN disclosed
CN-104640869-B Imidazo thiadiazoles and Imidazopyridazine derivative as proteinase activated receptors 4 (PAR4) inhibitor for treating platelet aggregation 百时美施贵宝公司 2017-12-12 CN disclosed
CN-104540835-B The imidazo thiadiazoles derivative as proteinase activated receptors 4 (PAR4) inhibitor for treating platelet aggregation 百时美施贵宝公司 2017-08-08 CN disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
CN-104411713-A PAR4 agonist peptides BRISTOL MYERS SQUIBB CO 2015-03-11 CN disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ERN1 3585/4885ALDH1A1 2282/4885KDM4E 2065/4885

“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.