SCHEMBL2804495

SCHEMBL2804495

O=C(CCC1CC1)Nc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.56
LDLR P01130 2/20 0.54
SCD O00767 1/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
MMP13 P45452 2/20 0.53
PKM P14618 1/20 0.53
DGAT1 O75907 1/20 0.53

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
SCHEMBL2807439 0.89 SCD (0.69) LDLRSCD
SCHEMBL2802968 0.88 SCD (0.54) CHEK2LDLRSCDDGAT1
SCHEMBL2802971 0.84 MMP2 (0.73) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL2805951 0.84 CHEK2 (0.57) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL2805873 0.83 CHEK2 (0.55) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL2318172 0.79 SCD (0.62) CHEK2SCD
SCHEMBL2804762 0.79 MMP2 (0.63) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL2802895 0.78 SCD (0.56) CHEK2SCD
SCHEMBL2809774 0.77 KDR (0.57) CHEK2SCD
SCHEMBL21018492 0.77 EGFR (0.65) MMP2MMP9MMP8MMP13PKM

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 CHEK2 3959/4885LDLR 2089/4885SCD 3183/4885

“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.