SCHEMBL3057128

SCHEMBL3057128

O=C(O)c1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.45
ALKBH1 Q13686 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RNASEH1 O60930 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
AKR1B1 P15121 1/20 0.40
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.38
IKBKB O14920 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 1/20 0.38

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
SCHEMBL3067789 0.87 IKBKB (0.48) FYNSLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL3066290 0.86 EPHX2 (0.47) EPHX2IKBKBPTGDR2
SCHEMBL3062042 0.84 POLB (0.49) FYNKDM4EIKBKBPTGDR2
SCHEMBL3069278 0.82 HPGD (0.52) KDM4EIKBKBHSD17B10
SCHEMBL3067615 0.81 PTGDR2 (0.44) KDM4EHSD17B10PTGDR2
SCHEMBL216748 0.72 EGLN1 (0.44) FYNALKBH1TSHREPHX2PTGER4
SCHEMBL366289 0.70 HAO1 (0.67) KDM4ERNASEH1HAO1SLC6A2SLC6A4
SCHEMBL3061475 0.70 SCD (0.52) PTGDR2
SCHEMBL27873324 0.68 TSHR (0.56) KDM4ERNASEH1HAO1SLC6A2SLC6A4
SCHEMBL4484502 0.66 GAA (0.66) ALKBH1KDM4ETSHREPHX2EGLN1

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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
WO-2010045371-A1 PYRIDO- AND PYRIMIDO (1, 2-A) PYRIMIDINE COMPOUNDS USEFUL AS STEAROYL COA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-04-22 WO 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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FADS2 FYN 3766/4885ALKBH1 614/4885KDM4E 660/4885

“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.