SCHEMBL2804172

SCHEMBL2804172

O=C(Cc1ccc(Cl)s1)Nc1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.69
KDR P35968 3/20 0.54
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR2E3 Q9Y5X4 6/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.48
F10 P00742 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
SCHEMBL2809774 0.91 KDR (0.57) SCDKDRNPC1MAPTRAB9A
SCHEMBL2805121 0.90 SCD (0.71) SCDKDRNPC1MAPTRAB9A
SCHEMBL2803272 0.84 SCD (0.71) SCDKDRNPC1MAPTRAB9A
SCHEMBL2317056 0.82 SCD (0.79) SCD
SCHEMBL2803254 0.81 SCD (0.54) SCDKDRNR2E3EGFR
SCHEMBL2807439 0.81 SCD (0.69) SCDKDRNR2E3EGFR
SCHEMBL2804167 0.78 SCD (0.73) SCDKDRNPC1MAPTRAB9A
SCHEMBL2316768 0.74 SCD (0.59) SCDKMT2AMEN1
SCHEMBL2316764 0.74 CHEK2 (0.77) SCDKMT2AMEN1
SCHEMBL2804175 0.74 SCD (0.59) SCDKMT2AMEN1

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 3183/4885KDR 3982/4885NPC1 1677/4885

“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.