SCHEMBL2816747

SCHEMBL2816747

Cc1cc(C)cc(NC(=O)Nc2[nH]c(-c3ccc(CC(=O)O)cc3)nc2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.44
HPSE Q9Y251 5/20 0.43
SOAT1 P35610 5/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4B Q07343 1/20 0.39
KDR P35968 1/20 0.39
RORC P51449 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
SCHEMBL2812209 0.85 MEN1 (0.44) DGAT1HPSEKDM4EPOLBMEN1
SCHEMBL2814782 0.85 HPSE (0.44) DGAT1HPSESOAT1POLBMEN1
SCHEMBL2818258 0.85 KIF11 (0.43) DGAT1HPSESOAT1KDM4EPOLB
SCHEMBL2819129 0.83 MEN1 (0.47) KDM4EMEN1KMT2AKDR
SCHEMBL2812631 0.83 EPHX2 (0.44) HPSEMEN1KMT2ARORC
SCHEMBL3989807 0.78 FFAR1 (0.58) DGAT1SOAT1KDM4E
SCHEMBL2814672 0.77 HPSE (0.52) HPSEKDR
SCHEMBL3994385 0.77 NR1H4 (0.46) DGAT1SOAT1MEN1KMT2A
SCHEMBL2816860 0.75 ADORA2B (0.43) MEN1KMT2A
SCHEMBL3993080 0.75 NR1H4 (0.46) DGAT1HPSESOAT1KMT2APDE4B

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 DGAT1 4383/4885HPSE 4848/4885SOAT1 3653/4885

“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.