SCHEMBL3570885

SCHEMBL3570885

O=C(Cl)c1ccccc1-c1cc(-c2ccc(F)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGER2 P43116 5/20 0.37
PTGER1 P34995 4/20 0.37
PTGER4 P35408 4/20 0.37
PTGER3 P43115 4/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
PTGFR P43088 1/20 0.37
PTGIR P43119 1/20 0.37
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL7605043 0.78 SLC6A3 (0.62) SLC6A4SLC6A3ALDH1A1ALOX15
SCHEMBL28913097 0.76 NPC1 (0.51) ALDH1A1ALOX15HSD17B1HSD17B2HDAC6
SCHEMBL28864485 0.71 CES2 (0.41) PTGER2PTGER1PTGER4PTGER3HSD17B1
SCHEMBL9280821 0.71 ALOX5 (0.43) ALDH1A1HSD17B1HSD17B2ESR1ESR2
SCHEMBL28225284 0.71 HSD17B1 (0.52) ALDH1A1HSD17B1HSD17B2ESR1ESR2
SCHEMBL19195914 0.69 HSD17B1 (0.53) HSD17B1HSD17B2ESR2DYRK1AHDAC6
SCHEMBL18825620 0.68 BCAT2 (0.59) SLC6A4SLC6A3ALDH1A1ALOX15
SCHEMBL1023432 0.67 ALDH1A1 (0.42) ALDH1A1ALOX15
SCHEMBL29688494 0.67 ALDH1A1 (0.58) SLC6A4SLC6A3ALDH1A1ALOX15CYP3A4
SCHEMBL993303 0.67 ALDH1A1 (0.58) SLC6A4SLC6A3ALDH1A1ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
CN-101213188-A Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH CORP (US) 2008-07-02 CN disclosed
EP-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 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 (3 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-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP SLC6A4 3876/4885SLC6A3 4204/4885ALDH1A1 2693/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP SLC6A4 3876/4885SLC6A3 4204/4885ALDH1A1 2693/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP SLC6A4 4014/4885SLC6A3 4252/4885ALDH1A1 3365/4885

“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.