SCHEMBL2814957

SCHEMBL2814957

COC(=O)c1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.47
FAAH O00519 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL2816508 0.91 EPHX2 (0.56) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL2813822 0.91 MAPT (0.43) EPHX2MAPTMEN1KMT2AKDM4E
SCHEMBL2814865 0.87 CA12 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13132987 0.84 SAE1 (0.51) EPHX2MAPTMEN1KMT2AKDM4E
SCHEMBL2818220 0.82 SAE1 (0.42) EPHX2MAPTMEN1KMT2AKDM4E
SCHEMBL2819274 0.81 EPHX2 (0.43) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL17957271 0.80 RAB9A (0.44) EPHX2MAPTMEN1KMT2AKDM4E
SCHEMBL2816965 0.80 EPHX2 (0.53) EPHX2FAAHMAPTNAMPT
SCHEMBL17957293 0.79 CA12 (0.44) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL2812870 0.79 EPHX2 (0.43) EPHX2HDAC3HDAC1HDAC2HDAC8

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 EPHX2 2238/4885FAAH 4170/4885HDAC3 1019/4885

“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.