SCHEMBL4112461

SCHEMBL4112461

O=C(N[C@@H]1C(=O)Nc2ccccc2S[C@H]1c1cc(F)ccc1F)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.43
TDO2 P48775 2/20 0.43
CCKBR P32239 1/20 0.42
HSD17B10 Q99714 4/20 0.40
GLA P06280 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
ESR2 Q92731 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNQ2 O43526 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
SCHEMBL3347473 1.00 IDO1 (0.43) IDO1TDO2CCKBRHSD17B10GLA
SCHEMBL3347461 1.00 IDO1 (0.43) IDO1TDO2CCKBRHSD17B10GLA
SCHEMBL4112458 1.00 IDO1 (0.43) IDO1TDO2CCKBRHSD17B10GLA
SCHEMBL3347463 1.00 IDO1 (0.43) IDO1TDO2CCKBRHSD17B10GLA
SCHEMBL6208872 0.85 HSD17B10 (0.44) HSD17B10GLAHTTTSHRKDM4E
SCHEMBL6208869 0.85 HSD17B10 (0.44) HSD17B10GLAHTTTSHRKDM4E
SCHEMBL9802023 0.83 HSD17B10 (0.53) IDO1TDO2HSD17B10GLAHTT
SCHEMBL9802678 0.83 HSD17B10 (0.53) IDO1TDO2HSD17B10GLAHTT
SCHEMBL9802016 0.83 HSD17B10 (0.53) IDO1TDO2HSD17B10GLAHTT
SCHEMBL9802422 0.81 HSD17B10 (0.46) IDO1TDO2HSD17B10GLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 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-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 IDO1 3559/4885TDO2 4409/4885CCKBR 665/4885

“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.