SCHEMBL3873229

SCHEMBL3873229

Fc1ccc(-c2ccc(/C=C/CCl)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 2/20 0.43
MET P08581 3/20 0.40
AURKA O14965 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
CDK8 P49336 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MAP4K2 Q12851 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL3873232 1.00 NPC1 (0.44) NPC1RXFP1CYP11B1CYP11B2MET
SCHEMBL3872787 0.84 NPC1 (0.47) NPC1RXFP1CYP11B1CYP11B2MET
SCHEMBL3872791 0.84 NPC1 (0.47) NPC1RXFP1CYP11B1CYP11B2MET
SCHEMBL73226 0.78 NFE2L2 (0.50) NFE2L2
SCHEMBL73227 0.78 NFE2L2 (0.50) NFE2L2
SCHEMBL3885395 0.78 NFE2L2 (0.50) NFE2L2
SCHEMBL4425760 0.76 ALDH1A1 (0.54) NPC1RXFP1CYP11B1CYP11B2MET
SCHEMBL3611598 0.75 KDM4E (0.61) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL3611594 0.75 KDM4E (0.61) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL4918925 0.75 NPC1 (0.40) NPC1RXFP1CYP11B1CYP11B2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642620-B2 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals SANOFI (FR) 2014-02-04 US disclosed
EP-1904476-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2009-02-25 EP disclosed
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
EP-1904476-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
EP-1741708-A1 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000248-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 NPC1 2910/4885RXFP1 708/4885CYP11B1 40/4885

“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.