SCHEMBL15219170

SCHEMBL15219170

O=C(O)C=C1OC(=O)c2cncnc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.37
SLC22A12 Q96S37 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10065471 0.88 CDC25B (0.37) CDC25BSLC22A12KDM4EALDH1A1HPGD
SCHEMBL19565778 0.79 CDC25B (0.31) CDC25BCYP3A4ALOX15HSD17B10
SCHEMBL4071878 0.74 CDC25B (0.47) CDC25BCYP1A2CYP3A4ALOX15TSHR
SCHEMBL16561504 0.73
SCHEMBL15219165 0.73 APAF1 (0.30)
SCHEMBL18265864 0.73 KDM4E (0.43) CDC25BCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL19575376 0.73 KDM4E (0.43) CDC25BCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL361673 0.71 KDM4E (0.37) KDM4ETDP1
SCHEMBL22435860 0.69 CDC25B (0.43) CDC25BCYP1A2CYP3A4
SCHEMBL18867264 0.69 CDC25B (0.43) CDC25BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216291-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-08-03 US disclosed
US-8916563-B2 Aldose reductase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-23 US disclosed
US-20130225592-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-29 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-20170216291-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF ALDOA, AKR1B1, AKR1C2 CDC25B 1875/4885SLC22A12 2449/4885CYP1A2 1039/4885
US-20130225592-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF ALDOA, AKR1B1, AKR1C2 CDC25B 1875/4885SLC22A12 2449/4885CYP1A2 1039/4885

“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.