SCHEMBL17097147

SCHEMBL17097147

O=S(=O)(c1ccccc1)n1cc(-c2ccc3[nH]c(CN4CCOCC4)nc3c2)c2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
DRD4 P21917 2/20 0.40
TDO2 P48775 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR6 P50406 6/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
IDO1 P14902 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
GRM2 Q14416 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
SCHEMBL17097177 0.85 HTR6 (0.42) L3MBTL1HTR6HTR2AHTR7
SCHEMBL17097059 0.85 HTR6 (0.46) ALDH1A1DRD4TDO2KDM4ETDP1
SCHEMBL17097267 0.84 HTR6 (0.47) DRD4HTR6
SCHEMBL17102146 0.83 IDO1 (0.43) HTR6HTR2AHTR7IDO1
SCHEMBL17097196 0.83 TDO2 (0.38) TDO2HTR6HTR2AHTR7IDO1
SCHEMBL17097224 0.83 GRIN1 (0.43) ALDH1A1L3MBTL1DRD4KDM4ETDP1
SCHEMBL17096725 0.82 HTR6 (0.43) L3MBTL1HTR6HTR2AHTR7
SCHEMBL17097305 0.82 KDM4E (0.45) ALDH1A1KDM4EHTR6HTR2AHTR7
SCHEMBL17097279 0.82 LMNA (0.41) TDO2HTR6IDO1IDO2GRM2
SCHEMBL17097280 0.81 HTR6 (0.41) L3MBTL1HTR6HTR2AHTR7

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
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HPGD 624/4885ALDH1A1 697/4885HSD17B10 62/4885

“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.