SCHEMBL7085241

SCHEMBL7085241

CC(=O)c1cccc(Cc2ncccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOB P27338 9/20 0.49
IL4I1 Q96RQ9 1/20 0.47
MAOA P21397 3/20 0.44
SRC P12931 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 1/20 0.43
MAP4K4 O95819 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K5 Q9Y4K4 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
SCHEMBL3335985 0.84 LMNA (0.59) MEN1KMT2AMAOBIL4I1MAOA
SCHEMBL6950557 0.82 MRGPRX4 (0.47) MEN1KMT2AMAOBIL4I1MAOA
SCHEMBL6190226 0.79 LMNA (0.69) MEN1KMT2AMAOBIL4I1NPC1
SCHEMBL2253024 0.75 IL4I1 (0.55) KMT2AMAOBIL4I1MAOAMRGPRX4
SCHEMBL1481937 0.74 PRSS1 (0.55) MAOBIL4I1MAOAMRGPRX4LMNA
SCHEMBL334537 0.74 MAOB (0.53) MAOBIL4I1MAOAMRGPRX4LMNA
SCHEMBL7054964 0.74 MAOB (0.53) MEN1KMT2AMAOBIL4I1MAOA
SCHEMBL7079191 0.74 KMT2A (0.42) MEN1KMT2ATSHRNPC1RAB9A
SCHEMBL27347922 0.74 MAOB (0.57) MEN1KMT2AMAOBMAOANPC1
SCHEMBL20342670 0.74 EPHX1 (0.51) MAOBIL4I1MAOANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 WO 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 MEN1 4377/4885KMT2A 3589/4885MAOB 2204/4885

“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.