SCHEMBL4844301

SCHEMBL4844301

COc1ccccc1C(=O)C=C1NC(C)(C)Cc2ccc(-c3cccnc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
ABCB1 P08183 2/20 0.40
ABCC1 P33527 2/20 0.40
TDP2 O95551 2/20 0.40

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
SCHEMBL4844288 1.00 MKNK1 (0.44) MKNK1MKNK2KDM4ELMNAGAA
SCHEMBL4844686 0.86 TDP2 (0.43) MKNK1MKNK2LMNAALDH1A1CYP1A2
SCHEMBL4844678 0.86 TDP2 (0.43) MKNK1MKNK2LMNAALDH1A1CYP1A2
SCHEMBL4839790 0.83 LMNA (0.52) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL4839778 0.83 LMNA (0.52) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL4839531 0.83 LMNA (0.48) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL4835807 0.83 KDM4E (0.48) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL4839546 0.83 LMNA (0.48) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL4835816 0.83 KDM4E (0.48) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL4835490 0.82 KDM4E (0.47) KDM4ELMNAGAAALDH1A1CYP1A2

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 MKNK1 2443/4885MKNK2 2369/4885KDM4E 4466/4885

“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.