SCHEMBL1280692

SCHEMBL1280692

COc1ccc(OCC(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
ACHE P22303 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AGTR1 P30556 1/20 0.49

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
SCHEMBL21100591 0.84 MAPT (0.73) POLBNPC1RAB9ABLMSMN1; SMN2
SCHEMBL6321338 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6328277 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1280153 0.82 MAPT (0.43) POLBMAPTALDH1A1LMNAGAA
SCHEMBL1280272 0.80 HPGD (0.57) MAPTALDH1A1KDM4EHPGDAGTR1
SCHEMBL26670667 0.80 ACHE (0.75) POLBNPC1RAB9ABLMSMN1; SMN2
SCHEMBL30697349 0.80 ACHE (0.75) POLBNPC1RAB9ABLMSMN1; SMN2
SCHEMBL4743799 0.79 HPGD (0.68) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL11854200 0.79 MAPT (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL29207051 0.78 NPC1 (0.81) POLBNPC1RAB9ABLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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 (2 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 POLB 3294/4885NPC1 1207/4885RAB9A 1019/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA POLB 3079/4885NPC1 1233/4885RAB9A 510/4885

“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.