SCHEMBL3553416

SCHEMBL3553416

CCc1cc(NC(N)=O)cc(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKCI P41743 1/20 0.40
PEPD P12955 1/20 0.39
PARP1 P09874 1/20 0.39
KIF11 P52732 3/20 0.39
NPC1 O15118 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
IKBKB O14920 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 1/20 0.35
PDE5A O76074 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6079845 0.90 MEN1 (0.43) ALDH1A1MAPTHSD17B10PRKCIPEPD
SCHEMBL9494042 0.82 LMNA (0.50) ALDH1A1MAPTHSD17B10NPC1MEN1
SCHEMBL27627388 0.79 PRKCI (0.63) ALDH1A1MAPTHSD17B10PRKCIPEPD
SCHEMBL25448024 0.78 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL25448023 0.78 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6079794 0.76 MEN1 (0.41) ALDH1A1MAPTHSD17B10PRKCIKIF11
SCHEMBL6502347 0.74 PRKCI (0.53) ALDH1A1MAPTPRKCIPEPDKIF11
SCHEMBL1787750 0.73 PEPD (0.56) ALDH1A1MAPTHSD17B10PEPDKIF11
SCHEMBL17682674 0.73 POLB (0.45) ALDH1A1MAPTHSD17B10NPC1MEN1
SCHEMBL11178821 0.70 KIF11 (0.51) ALDH1A1MAPTHSD17B10PRKCIKIF11

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 ALDH1A1 2078/4885MAPT 1151/4885HSD17B10 3481/4885

“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.