SCHEMBL2813147

SCHEMBL2813147

CCCCc1ccc(NC(=O)Nc2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.46
ADORA3 P0DMS8 4/20 0.46
ADORA2A P29274 7/20 0.44
ADORA1 P30542 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL2816860 0.91 ADORA2B (0.43) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL2815140 0.88 CA12 (0.42) CA12CA1CA2CA9MEN1
SCHEMBL2816988 0.85 ADORA2A (0.45) ADORA2BADORA3ADORA2AADORA1CA12
SCHEMBL2816527 0.85 CA12 (0.42) CA12CA1CA2CA9MEN1
SCHEMBL2815672 0.84 RAB9A (0.45) ADORA2BADORA3ADORA2AADORA1CA12
SCHEMBL2819439 0.83 IDH1 (0.49) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL2812011 0.80 MEN1 (0.45) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL3998145 0.78 CA12 (0.45) CA12CA1CA2CA9MEN1
SCHEMBL2815561 0.78 MAPT (0.44) MEN1KMT2ANPC1RAB9A
SCHEMBL3991433 0.78 MEN1 (0.42) ADORA2BADORA2AADORA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed

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 ADORA2B 2363/4885ADORA3 3048/4885ADORA2A 3363/4885

“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.