SCHEMBL3612908

SCHEMBL3612908

O=C(C=CN1CCCCC1)c1cn(Cc2ccc(F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 4/20 0.48
KDM5A P29375 3/20 0.48
KDM4C Q9H3R0 3/20 0.48
KDM4A O75164 1/20 0.48
RBP4 P02753 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GRM2 Q14416 2/20 0.38
MCHR1 Q99705 1/20 0.37
USP30 Q70CQ3 1/20 0.36
PRKAA2 P54646 2/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL3622032 0.81 RBP4 (0.45) KDM5BKDM5AKDM4CRBP4LMNA
SCHEMBL754518 0.74 KDM5A (0.52) KDM5BKDM5AKDM4CKDM4ARBP4
SCHEMBL3617437 0.74 MAPT (0.37) KDM4CALDH1A1PRKAA2LMNA
SCHEMBL8177003 0.74 ALDH1A1 (0.48) KDM5BKDM5AKDM4CKDM4AALDH1A1
SCHEMBL3612911 0.74 ALDH1A1 (0.48) KDM5BKDM5AKDM4CKDM4AALDH1A1
SCHEMBL16921555 0.71 GRM2 (0.45) KDM5BKDM5AKDM4CKDM4ARBP4
SCHEMBL7185653 0.69 KDM5A (0.53) KDM5BKDM5AKDM4CKDM4ARBP4
SCHEMBL15964744 0.66 RBP4 (0.54) KDM5BKDM5AKDM4CKDM4ARBP4
SCHEMBL765397 0.66 KDM5B (0.48) KDM5BKDM5AKDM4CKDM4AALDH1A1
SCHEMBL19149495 0.66 MAPT (0.55) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 KDM5B 2026/4885KDM5A 1433/4885KDM4C 2809/4885

“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.