SCHEMBL13701427

SCHEMBL13701427

C=CCOc1ccccc1C(=O)CCc1coc(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 4/20 0.41
LIG1 P18858 1/20 0.39
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
PDE4B Q07343 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHEK1 O14757 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL34465305 0.98 PARP1 (0.47) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4274997 0.98 PARP1 (0.47) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4274927 0.96 PARP1 (0.47) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4276930 0.95 PARP1 (0.45) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL29813517 0.95 PARP1 (0.45) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4277865 0.95 PARP1 (0.45) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4271240 0.93 PARP1 (0.42) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4277682 0.93 PARP1 (0.44) PARP1KDM4ELIG1CTNNB1WNT3A
SCHEMBL4270590 0.93 PARP1 (0.43) PARP1KDM4EPDE4BSMN1; SMN2HTT
SCHEMBL34465432 0.93 PARP1 (0.43) PARP1KDM4EPDE4BSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46792-E1 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-17 US disclosed
US-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-8637559-B2 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-28 US disclosed
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-09-03 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-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A PARP1 2955/4885KDM4E 1260/4885LIG1 1138/4885
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A PARP1 2955/4885KDM4E 1260/4885LIG1 1138/4885

“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.