SCHEMBL2815672

SCHEMBL2815672

CC(C)c1ccc(NC(=O)Nc2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ADORA2B P29275 5/20 0.41
ADORA2A P29274 3/20 0.41
KIF11 P52732 1/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2816860 0.88 ADORA2B (0.43) RAB9AMEN1KMT2AMAPTADORA2B
SCHEMBL2816988 0.87 ADORA2A (0.45) MEN1KMT2AMAPTCA12CA1
SCHEMBL2818258 0.85 KIF11 (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2816333 0.85 RAB9A (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2819439 0.85 IDH1 (0.49) MEN1KMT2AALDH1A1ADORA2BADORA2A
SCHEMBL2813147 0.84 ADORA2B (0.46) RAB9ANPC1MEN1KMT2ACA12
SCHEMBL2812011 0.82 MEN1 (0.45) MEN1KMT2AADORA2BADORA2AADORA1
SCHEMBL2816509 0.81 MEN1 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2812619 0.79 KCNMA1 (0.52) RAB9AMEN1KMT2AMAPT
SCHEMBL3999791 0.78 KMT2A (0.52) NPC1MEN1KMT2AMAPTMAPK1

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
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 RAB9A 882/4885NPC1 1554/4885MEN1 171/4885

“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.