SCHEMBL2805768

SCHEMBL2805768

O=C(Cc1nccs1)Nc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.72
CHEK2 O96017 1/20 0.50
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.49
RECQL P46063 1/20 0.49
SMAD3 P84022 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
RAB9A P51151 3/20 0.48
KDR P35968 2/20 0.47
NPC1 O15118 2/20 0.46

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
SCHEMBL2803272 0.88 SCD (0.71) SCDMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2802895 0.88 SCD (0.56) SCDCHEK2MAPTKMT2ASMN1; SMN2
SCHEMBL2805121 0.84 SCD (0.71) SCDCHEK2MAPTKMT2ASMN1; SMN2
SCHEMBL2315450 0.84 SCD (0.81) SCDCHEK2
SCHEMBL2803574 0.82 SCD (0.54) SCDCHEK2KDR
SCHEMBL2802968 0.82 SCD (0.54) SCDCHEK2
SCHEMBL2808586 0.81 MMP2 (0.62) SCDCHEK2
SCHEMBL2808385 0.79 SCD (0.67) SCDMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2805769 0.77 SCD (0.61) SCDCHEK2
SCHEMBL2321478 0.75 CHEK2 (0.72) SCDCHEK2

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 SCD 3183/4885CHEK2 3959/4885MAPT 3100/4885

“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.