SCHEMBL4249681

SCHEMBL4249681

O=Cc1ccc2ncn(C3CCCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HCAR1 Q9BXC0 5/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL22862669 0.94 HSD17B10 (0.43) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL29490299 0.94 HSD17B10 (0.43) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL14852094 0.86 DRD2 (0.45) HSD17B10GAAALDH1A1KMT2AFLT3
SCHEMBL22862666 0.83 GAA (0.50) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL29490333 0.83 GAA (0.50) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL22862542 0.79 HSD17B10 (0.40) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL18474192 0.77 HSD17B10 (0.47) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL17678098 0.77 GAA (0.47) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL18136684 0.77 GAA (0.50) HSD17B10GAAHCAR1ALDH1A1HPGD
SCHEMBL17678351 0.77 GAA (0.47) HSD17B10GAAHCAR1ALDH1A1HPGD

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
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 — — US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 — — 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HSD17B10 920/4885GAA 766/4885HCAR1 2842/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HSD17B10 3245/4885GAA 2041/4885HCAR1 4292/4885

“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.

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