SCHEMBL4148716

SCHEMBL4148716

Oc1ccc(-c2cncc(NCC3CCCCC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 1/20 0.45
KDM4C Q9H3R0 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP7 Q93009 1/20 0.39
KDR P35968 1/20 0.39
ROCK2 O75116 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
AOC1 P19801 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL4148646 0.86 KDM4C (0.45) KDM4CKDRROCK2KCNH2ATM
SCHEMBL4148071 0.80 CHRNB4 (0.43) MAPK1KCNH2
SCHEMBL4930989 0.79 MKNK1 (0.44) KDM4CKDRAOC1AOC3CCNT1
SCHEMBL28188626 0.78 MEN1 (0.46) MEN1KMT2AS1PR1NPC1LMNA
SCHEMBL6884915 0.77 S1PR1 (0.52) MEN1KMT2AS1PR1KDM4CNPC1
SCHEMBL4142869 0.76 FYN (0.49) MEN1KMT2AKCNH2ATMATR
SCHEMBL24449938 0.75 PDE3B (0.44) ROCK2
SCHEMBL4925453 0.73 ROCK2 (0.45) KDRROCK2MAOBCCNT1CDK9
SCHEMBL16411283 0.72 S1PR1 (0.47) MEN1KMT2AS1PR1MAPK1USP7
SCHEMBL24449937 0.72 IDO1 (0.45) MEN1KMT2AKDM4CNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT MEN1 789/4885KMT2A 3743/4885S1PR1 946/4885

“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.