SCHEMBL2956789

SCHEMBL2956789

CCCCc1ccnn1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C18 P33260 2/20 0.39
CYP2C8 P10632 1/20 0.39
NR3C2 P08235 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
FFAR4 Q5NUL3 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4872919 0.79 MAPT (0.45) ALDH1A1MAPTATMCYP2C9CYP2C19
SCHEMBL5732531 0.75 ALDH1A1 (0.42) ALDH1A1MAPTATMCYP2C9CYP2C19
SCHEMBL23401442 0.74 RAB9A (0.40) ALDH1A1MAPTCYP2C9CYP2C19NPSR1
SCHEMBL5266895 0.73 CYP2C9 (0.44) ALDH1A1CYP2C9CYP2C19CYP2C18CYP2C8
SCHEMBL17788545 0.71 CYP1A2 (0.45) KDM5AKDM5BALDH1A1MAPTCYP2C9
SCHEMBL23401516 0.71 ALDH1A1 (0.44) ALDH1A1MAPTATMCYP2C9CYP2C19
SCHEMBL23130273 0.70 CYP2C9 (0.49) KDM5AKDM5BALDH1A1MAPTATM
SCHEMBL23402558 0.70 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL23398771 0.70 RAB9A (0.41) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL27721618 0.70 RAB9A (0.50) ALDH1A1MAPTCYP2C9CYP2C19NPSR1

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-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 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-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 KDM5A 3017/4885KDM5B 2786/4885ALDH1A1 2315/4885

“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.