SCHEMBL2803272

SCHEMBL2803272

O=C(Cc1nccs1)Nc1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.71
KDR P35968 3/20 0.53
NR2E3 Q9Y5X4 5/20 0.49
P2RX4 Q99571 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
EGFR P00533 1/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL2802895 0.90 SCD (0.56) SCDKDRNR2E3MAPTKMT2A
SCHEMBL2805768 0.88 SCD (0.72) SCDKDRNR2E3MAPTKMT2A
SCHEMBL2804172 0.84 SCD (0.69) SCDKDRNR2E3MAPTKMT2A
SCHEMBL2318114 0.83 SCD (0.80) SCD
SCHEMBL2803254 0.81 SCD (0.54) SCDKDRNR2E3EGFR
SCHEMBL2807439 0.80 SCD (0.69) SCDKDRNR2E3EGFR
SCHEMBL2803273 0.75 SCD (0.60) SCDKMT2AMEN1
SCHEMBL2809774 0.75 KDR (0.57) SCDKDRMAPTKMT2ASMN1; SMN2
SCHEMBL2805121 0.75 SCD (0.71) SCDKDRMAPTKMT2ASMN1; SMN2
SCHEMBL2316764 0.74 CHEK2 (0.77) 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 3982/4885NR2E3 981/4885

“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.