SCHEMBL4840820

SCHEMBL4840820

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.46
MEN1 O00255 10/20 0.46
ALDH1A1 P00352 6/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
KCNK9 Q9NPC2 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4840829 1.00 KMT2A (0.46) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL4838218 0.94 MAPT (0.54) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL4838226 0.94 MAPT (0.54) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL4842463 0.92 ALOX5 (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4842456 0.92 ALOX5 (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4839725 0.91 RAB9A (0.51) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4839736 0.91 RAB9A (0.51) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4846328 0.90 TP53 (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4838059 0.90 KCNK3 (0.47) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL4846336 0.90 TP53 (0.48) KMT2AMEN1ALDH1A1MAPTNPC1

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 KMT2A 4642/4885MEN1 1230/4885ALDH1A1 2636/4885

“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.