SCHEMBL2806384

SCHEMBL2806384

O=C(Cc1cccs1)Nc1ccc2nc(-c3ccc(C(=O)c4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
KMT2A Q03164 6/20 0.62
KDM4E B2RXH2 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
RAB9A P51151 4/20 0.62
HPGD P15428 4/20 0.62
NPC1 O15118 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 3/20 0.62
SCD O00767 2/20 0.59
POLB P06746 3/20 0.56
HTT P42858 1/20 0.56
APAF1 O14727 2/20 0.54
PPARG P37231 1/20 0.54
RECQL P46063 1/20 0.54
SMAD3 P84022 1/20 0.54
PTK2B Q14289 1/20 0.54

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
SCHEMBL2804167 0.87 SCD (0.73) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL2808385 0.82 SCD (0.67) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL2319195 0.80 SCD (0.61) SCDCHEK2
SCHEMBL2242913 0.78 SMN1; SMN2 (1.00) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL2806387 0.75 CHEK2 (0.56) SCDCHEK2
SCHEMBL3649335 0.74 SCD (0.60) SCDCHEK2
SCHEMBL2805768 0.73 SCD (0.72) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL2805121 0.72 SCD (0.71) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL27202469 0.72 SMN1; SMN2 (0.85) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL2319097 0.71 SCD (0.54) MAPTKMT2AKDM4ESMN1; SMN2RAB9A

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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 US claimed
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF CYP3A43, CYP11B1, CYP11B2 MAPT 3100/4885KMT2A 2285/4885KDM4E 1765/4885

“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.