SCHEMBL4843490

SCHEMBL4843490

COc1ccc2c(c1)C(=CC(=O)c1cccc(C(=O)NCCNC(C)=O)c1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
DRD4 P21917 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
MMP13 P45452 1/20 0.39
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4843460 1.00 KMT2A (0.42) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4844302 0.92 ALDH1A1 (0.44) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4844279 0.92 ALDH1A1 (0.44) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4846453 0.92 KMT2A (0.43) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4846443 0.92 KMT2A (0.43) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4846647 0.92 LMNA (0.43) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4846667 0.92 LMNA (0.43) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4835400 0.91 KMT2A (0.42) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4835418 0.91 KMT2A (0.42) KMT2AKDM4ELMNAALDH1A1GAA
SCHEMBL4842896 0.90 LMNA (0.46) KMT2AKDM4ELMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KMT2A 4642/4885KDM4E 4466/4885LMNA 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.