SCHEMBL3502020

SCHEMBL3502020

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccccc3F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
PPARG P37231 1/20 0.47
GAA P10253 1/20 0.45
FFAR1 O14842 2/20 0.45
ERAP2 Q6P179 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
LTA4H P09960 1/20 0.44
YAP1 P46937 6/20 0.43
GPR34 Q9UPC5 3/20 0.43
CDK2 P24941 2/20 0.43
EGLN1 Q9GZT9 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3502021 1.00 RAB9A (0.48) RAB9ANPC1PPARGGAAFFAR1
SCHEMBL3498701 0.93 GPR34 (0.51) PPARGFFAR1GPR34
SCHEMBL3498699 0.93 GPR34 (0.51) PPARGFFAR1GPR34
SCHEMBL3498073 0.91 CDK2 (0.54) RAB9APPARGGAAFFAR1ERAP2
SCHEMBL3498075 0.91 CDK2 (0.54) RAB9APPARGGAAFFAR1ERAP2
SCHEMBL3499038 0.88 RAB9A (0.46) RAB9ANPC1PPARGGAAERAP2
SCHEMBL3499037 0.88 RAB9A (0.46) RAB9ANPC1PPARGGAAERAP2
SCHEMBL3500418 0.87 PPARG (0.48) RAB9APPARGGAAERAP2LNPEP
SCHEMBL3500421 0.87 PPARG (0.48) RAB9APPARGGAAERAP2LNPEP
SCHEMBL3497391 0.87 GPR34 (0.55) RAB9APPARGGAALTA4HYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 RAB9A 2269/4885NPC1 1622/4885PPARG 189/4885

“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.