SCHEMBL4839541

SCHEMBL4839541

CCC(=O)Nc1cccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 5/20 0.42
MAPT P10636 4/20 0.42
ATM Q13315 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL4839554 1.00 EPHX2 (0.43) EPHX2KMT2ALMNAMAPTATM
SCHEMBL4838794 0.93 MTNR1B (0.47) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL4838804 0.93 MTNR1B (0.47) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL4837826 0.92 ALDH1A1 (0.45) KMT2ALMNAMAPTHPGDHTT
SCHEMBL4837848 0.92 ALDH1A1 (0.45) KMT2ALMNAMAPTHPGDHTT
SCHEMBL4844404 0.91 ALDH1A1 (0.48) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL4844392 0.91 ALDH1A1 (0.48) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL4839053 0.91 ALDH1A1 (0.46) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL4839063 0.91 ALDH1A1 (0.46) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL4841279 0.91 KMT2A (0.41) KMT2ALMNAMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 EPHX2 2903/4885KMT2A 4642/4885LMNA 3014/4885

“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.