SCHEMBL2571193

SCHEMBL2571193

CCC(C)NC(=O)c1cccc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 3/20 0.41
PRKD3 O94806 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
CNR2 P34972 6/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2572712 0.88 BRD4 (0.43) PRKD1CNR2ACSS2BRD4HDAC6
SCHEMBL2571322 0.86 CNR2 (0.41) CNR2BRD4
Hydrochloric Acid SCHEMBL3419124 0.85 CNR2 (0.39) CNR2
SCHEMBL2573284 0.85 CNR2 (0.42) CNR2
SCHEMBL2572048 0.84 NR5A2 (0.42) CNR2
SCHEMBL2571131 0.83 MTOR (0.45) PRKD1CNR2ACSS2BRD4MTOR
SCHEMBL2570972 0.83 MTOR (0.46) PRKD1CNR2ACSS2BRD4MTOR
SCHEMBL2571693 0.83 CNR2 (0.42) CNR2
SCHEMBL2571582 0.82 MTOR (0.43) CNR2HPGDBRD4MTORTDP1
Hydrochloric Acid SCHEMBL2566184 0.82 CNR2 (0.42) CNR2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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 (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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 PRKD1 1226/4885PRKD3 571/4885PRKD2 573/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 PRKD1 1226/4885PRKD3 571/4885PRKD2 573/4885

“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.