SCHEMBL2374364

SCHEMBL2374364

COC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(N2CCOCC2)nc1)C(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AOC3 Q16853 2/20 0.37
POLB P06746 1/20 0.37
PTGS2 P35354 1/20 0.36
SNCA P37840 1/20 0.36
DGAT1 O75907 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL2374368 1.00 KDM4E (0.40) KDM4ECYP1A2MAPTCYP2C19CYP11B1
SCHEMBL2374376 1.00 KDM4E (0.40) KDM4ECYP1A2MAPTCYP2C19CYP11B1
SCHEMBL2374946 0.93 TRPM8 (0.42) KDM4EMAPTNPC1RAB9ASNCA
SCHEMBL2374949 0.93 TRPM8 (0.42) KDM4EMAPTNPC1RAB9ASNCA
SCHEMBL2374944 0.93 TRPM8 (0.42) KDM4EMAPTNPC1RAB9ASNCA
SCHEMBL2375149 0.92 KDM4E (0.42) KDM4ECYP1A2MAPTCYP2C19CYP11B1
SCHEMBL2375134 0.92 KDM4E (0.42) KDM4ECYP1A2MAPTCYP2C19CYP11B1
SCHEMBL2375139 0.92 KDM4E (0.42) KDM4ECYP1A2MAPTCYP2C19CYP11B1
SCHEMBL2374519 0.91 NOS3 (0.46) KDM4EMAPTSMN1; SMN2AOC3KMT2A
SCHEMBL2374516 0.91 NOS3 (0.46) KDM4EMAPTSMN1; SMN2AOC3KMT2A

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 KDM4E 1004/4885CYP1A2 1208/4885MAPT 316/4885

“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.