SCHEMBL4839606

SCHEMBL4839606

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
MEN1 O00255 4/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL4839590 1.00 KMT2A (0.48) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4846814 0.91 MAPT (0.48) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4846826 0.91 MAPT (0.48) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4835039 0.91 KMT2A (0.48) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4835052 0.91 KMT2A (0.48) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4840894 0.90 LMNA (0.45) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4840881 0.90 LMNA (0.45) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4878900 0.89 KMT2A (0.46) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4878886 0.89 KMT2A (0.46) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL4835240 0.89 MAPT (0.47) KMT2ALMNAKDM4EMAPTHTT

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 4642/4885LMNA 3014/4885KDM4E 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.