SCHEMBL17023946

SCHEMBL17023946

CCOc1ccc(N[C@H]2c3cc4nc(CO)cc(C)c4cc3OC(C)(C)[C@@H]2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
ABCC9 O60706 7/20 0.36
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
ABCB1 P08183 1/20 0.33
SLC5A2 P31639 1/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2869871 0.77 IDO1 (0.37) ABCC9ABCB1
SCHEMBL2869869 0.77 IDO1 (0.37) ABCC9ABCB1
SCHEMBL25373810 0.75 ABCB1 (0.42) ABCC9ABCB1KDM4EALDH1A1HSD17B10
SCHEMBL2006800 0.75 ABCB1 (0.42) ABCC9ABCB1KDM4EALDH1A1HSD17B10
SCHEMBL29451096 0.75 ABCB1 (0.42) ABCC9ABCB1KDM4EALDH1A1HSD17B10
SCHEMBL113139 0.75 ABCB1 (0.42) ABCC9ABCB1KDM4EALDH1A1HSD17B10
SCHEMBL2009633 0.74 ABCB1 (0.34) ABCC9ABCB1KDM4EHSD17B10
SCHEMBL2875626 0.73 KCNA5 (0.34) ABCC9KMT2AABCB1
SCHEMBL2873106 0.68 ABCC9 (0.37) ABCC9ABCB1KDM4E
SCHEMBL2014393 0.68 ABCC9 (0.37) ABCC9ABCB1KDM4E

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-9464095-B2 Production method of high-purity nitrogen-containing heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-11 US disclosed
US-20150239899-A1 PRODUCTION METHOD OF HIGH-PURITY NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-27 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-20150239899-A1 PRODUCTION METHOD OF HIGH-PURITY NITROGEN-CONTAINING HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NPM1, NHP2 RAB9A 430/4885ABCC9 3228/4885MAPT 2950/4885

“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.