SCHEMBL4841872

SCHEMBL4841872

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(N(C)C)cc1)NC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
CYP1A2 P05177 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 5/20 0.40
MAOA P21397 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KRAS P01116 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TUBB1 Q9H4B7 1/20 0.37
NPC1 O15118 2/20 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
SCHEMBL4844569 0.91 HSP90AA1 (0.45) MAOBCYP1A2KMT2ACYP3A4CYP2C19
SCHEMBL4834766 0.87 CA1 (0.44) CYP1A2MEN1KMT2ACYP3A4CYP2C19
SCHEMBL4841845 0.86 HSP90AA1 (0.39) MAOBCYP1A2KMT2ACYP3A4CYP2C19
SCHEMBL14181853 0.86 NPC1 (0.43) MAOBCYP1A2MEN1KMT2ACYP3A4
SCHEMBL4837720 0.86 MAOB (0.44) MAOBCYP1A2MEN1KMT2ACYP3A4
SCHEMBL4844048 0.84 MAOB (0.44) MAOBCYP1A2MEN1KMT2ACYP3A4
SCHEMBL4844068 0.84 MAOB (0.44) MAOBCYP1A2MEN1KMT2ACYP3A4
SCHEMBL4841454 0.83 MAPT (0.39) CYP1A2KMT2ACYP3A4CYP2C19LMNA
SCHEMBL4842244 0.83 MAOB (0.49) MAOBMEN1KMT2ALMNAMAPT
SCHEMBL4835313 0.83 MAPT (0.50) MEN1KMT2ACYP3A4LMNAMAPT

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 MAOB 566/4885CYP1A2 2248/4885MEN1 1230/4885

“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.