SCHEMBL2804167

SCHEMBL2804167

O=C(Cc1ccc(Cl)s1)Nc1ccc2nc(-c3ccc(C(=O)c4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.73
NR2E3 Q9Y5X4 3/20 0.47
KDR P35968 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHEK2 O96017 1/20 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
SCHEMBL2806384 0.87 MAPT (0.62) SCDNR2E3PKMMAPTCYP2C9
SCHEMBL2805121 0.85 SCD (0.71) SCDKDRMAPTCYP2C9CYP2C19
SCHEMBL2809774 0.80 KDR (0.57) SCDKDRMAPTCYP2C9CYP2C19
SCHEMBL2804172 0.78 SCD (0.69) SCDNR2E3KDRMAPTCYP2C9
SCHEMBL2808385 0.77 SCD (0.67) SCDNR2E3PKMMAPTCYP2C9
SCHEMBL2804169 0.76 SCD (0.62) SCDCHEK2
SCHEMBL2319097 0.70 SCD (0.54) SCDMAPTCYP2C9CYP2C19KMT2A
SCHEMBL2319195 0.70 SCD (0.61) SCDCHEK2
SCHEMBL2804505 0.69 CHEK2 (0.55) SCDCHEK2
SCHEMBL2316895 0.69 SCD (0.56) 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 3183/4885NR2E3 981/4885KDR 3982/4885

“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.