SCHEMBL10152246

SCHEMBL10152246

COC(=O)Cn1c2c(c3cc(N)ccc31)CCCC2

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.76
HTR6 P50406 3/20 0.55
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
SCARB1 Q8WTV0 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.44
LMNA P02545 1/20 0.44
KRAS P01116 2/20 0.42
RORC P51449 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10152135 0.82 HSD17B10 (0.71) HSD17B10HTR6KDM4EKMT2AMEN1
SCHEMBL13677415 0.81 HSD17B10 (0.70) HSD17B10KDM4EKMT2AMEN1GLA
SCHEMBL28795369 0.81 KDM4E (0.49) HSD17B10KDM4EKMT2AMEN1LMNA
SCHEMBL15899412 0.79 HTR6 (0.57) HSD17B10HTR6KDM4EKMT2AMEN1
SCHEMBL15899530 0.77 HTR6 (0.55) HSD17B10HTR6KDM4EKMT2AMEN1
SCHEMBL15899271 0.76 HTR6 (0.54) HSD17B10HTR6KDM4EKMT2AMEN1
SCHEMBL13677430 0.76 HTR6 (0.51) HSD17B10HTR6KDM4EKMT2AMEN1
SCHEMBL10152245 0.76 KDM4E (0.60) HSD17B10KDM4EKMT2AMEN1PTGDR2
SCHEMBL13677414 0.75 PTGDR2 (0.81) HSD17B10PTGDR2
SCHEMBL6482125 0.72 HTR6 (0.56) HSD17B10HTR6KDM4EKMT2AMEN1

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
EP-2423190-A1 Compounds Exhibiting PGD 2 Receptor Antagonism Shionogi&Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. 2009-10-15 US disclosed
US-7534897-B2 Indole arylsulfonaimide compounds exhibiting PGD 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2009-05-19 US disclosed
US-7534897-B2 Indole arylsulfonaimide compounds exhibiting PGD 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2009-05-19 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-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST CYSLTR2, CYSLTR1, HRH2 HSD17B10 2363/4885HTR6 409/4885KDM4E 2938/4885

“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.