SCHEMBL2028098

SCHEMBL2028098

O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.56
MAPK14 Q16539 4/20 0.50
MAPK13 O15264 1/20 0.50
GCGR P47871 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GSK3B P49841 2/20 0.45
PTPN1 P18031 2/20 0.44
P2RX1 P51575 1/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CDK2 P24941 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2027320 0.87 CNR1 (0.55) CNR1MAPK14MAPK13GCGRMAPK12
SCHEMBL10561379 0.77 CNR1 (0.51) CNR1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4079971 0.75 CNR1 (0.59) CNR1MAPK14MAPK13GCGRMAPK12
SCHEMBL5268736 0.75 CNR1 (0.58) CNR1MAPK14MAPK13GCGRMAPK12
SCHEMBL2027314 0.74 MAPK13 (0.52) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2028423 0.73 MAPT (0.50) CNR1MEN1KMT2AKDM4ENPC1
SCHEMBL4076039 0.72 CNR1 (1.00) CNR1
SCHEMBL4076020 0.72 CNR1 (1.00) CNR1RXFP1NPC1RAB9A
SCHEMBL11171142 0.72 MAPK14 (0.47) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2028034 0.71 KMT2A (0.54) MEN1KMT2ARXFP1NPC1RAB9A

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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US claimed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 CNR1 44/4885MAPK14 2758/4885MAPK13 2921/4885

“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.