SCHEMBL1719732

SCHEMBL1719732

O=c1[nH]c2[nH]ncc2c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.58
PARP1 P09874 11/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
PRKCI P41743 1/20 0.48
PDE4B Q07343 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 3/20 0.48
TNKS O95271 2/20 0.48
PARP15 Q460N3 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
GPR3 P46089 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47

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
SCHEMBL30624853 1.00 XDH (0.58) XDHPARP1ALDH1A1HSD17B10PRKCI
SCHEMBL30624835 1.00 XDH (0.58) XDHPARP1ALDH1A1HSD17B10PRKCI
SCHEMBL30625228 0.78 XDH (0.50) XDHPARP1ALDH1A1HSD17B10KDM4E
Oxypurinol SCHEMBL39154 0.74 XDH (1.00) XDHPARP1ALDH1A1HSD17B10KDM4E
SCHEMBL3081936 0.73 PARP1 (0.71) PARP1ALDH1A1HSD17B10KDM4ETNKS
Oxypurinol SCHEMBL9003939 0.72 XDH (0.96) XDHPARP1ALDH1A1HSD17B10KDM4E
Oxypurinol SCHEMBL9003893 0.72 XDH (0.96) XDHPARP1ALDH1A1HSD17B10KDM4E
Oxypurinol SCHEMBL9823223 0.72 XDH (0.96) XDHPARP1ALDH1A1HSD17B10KDM4E
Oxypurinol SCHEMBL9003927 0.72 XDH (0.96) XDHPARP1ALDH1A1HSD17B10KDM4E
Oxypurinol SCHEMBL9295181 0.71 XDH (0.92) XDHPARP1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US claimed
EP-4511373-A1 PI3K? INHIBITORS Synnovation Therapeutics, Inc. (US) 2025-02-26 EP disclosed
WO-2023205680-A1 PI3Kα INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP disclosed
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 XDH 194/4885PARP1 1/4885ALDH1A1 169/4885

“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.