SCHEMBL13036367

SCHEMBL13036367

COc1ccc(CO[C@@H](c2ccc(F)c(F)c2)[C@@H](c2cccnc2)N2CCCC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 4/20 0.37
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GNRHR P30968 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAT2A P31153 1/20 0.34

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
SCHEMBL13084708 1.00 IDO1 (0.38) IDO1MAPTNPSR1TP53LMNA
SCHEMBL13036366 1.00 IDO1 (0.38) IDO1MAPTNPSR1TP53LMNA
SCHEMBL13036414 0.91 TP53 (0.35) TP53
SCHEMBL13036415 0.91 TP53 (0.35) TP53
SCHEMBL13036380 0.90 TP53 (0.43) MAPTNPSR1TP53LMNAPOLB
SCHEMBL13036379 0.90 TP53 (0.43) MAPTNPSR1TP53LMNAPOLB
SCHEMBL13036282 0.87 TACR1 (0.41) MAPTTHRBALDH1A1RECQLKDM4E
SCHEMBL13084643 0.87 TACR1 (0.41) MAPTTHRBALDH1A1RECQLKDM4E
SCHEMBL13036285 0.87 TACR1 (0.41) MAPTTHRBALDH1A1RECQLKDM4E
SCHEMBL13036403 0.80 FFAR1 (0.41) MAPTNPSR1LMNAALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 US disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 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-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them KCNH1, MLLT3, CYP1A2 IDO1 2656/4885MAPT 4766/4885NPSR1 301/4885

“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.