SCHEMBL4864053

SCHEMBL4864053

C=CCN(CC=C)c1cc(NC(N)=O)ccn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NR3C2 P08235 5/20 0.36
ALDH1A1 P00352 3/20 0.35
PEPD P12955 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPIA P62937 1/20 0.33
NPC1 O15118 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL4863259 0.78 S1PR1 (0.48) MAPTHSD17B10NR3C2ALDH1A1PRKCI
SCHEMBL4860253 0.77 MAPT (0.41) MAPTHSD17B10NR3C2ALDH1A1PEPD
SCHEMBL4853772 0.75 MAPT (0.43) MAPTHSD17B10NR3C2ALDH1A1PRKCI
SCHEMBL17022425 0.75 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2A
SCHEMBL11093327 0.75 PEPD (0.48) MAPTALDH1A1PEPDMEN1KMT2A
SCHEMBL9362793 0.71 KDM4E (0.30) MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL4851904 0.70 NR3C2 (0.47) MAPTNR3C2PPIA
SCHEMBL4701803 0.70 NR3C2 (0.55) NR3C2
SCHEMBL9362783 0.69 ALDH1A1 (0.36) MAPTHSD17B10NR3C2ALDH1A1MEN1
SCHEMBL31078765 0.68 AR (0.52) MAPTHSD17B10NR3C2ALDH1A1PEPD

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-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR MAPT 941/4885HSD17B10 4799/4885NR3C2 668/4885

“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.