SCHEMBL6943282

SCHEMBL6943282

COC(=O)Cc1c(O)nc(Cc2ccc3c(c2)OCO3)nc1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
IGFBP3 P17936 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6943649 0.92 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6941343 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6941106 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6937614 0.83 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6945952 0.83 CALM1 (0.47) SMN1; SMN2HSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL6945057 0.81 ALDH1A1 (0.46) HSD17B10CYP3A4ALDH1A1IGFBP3
SCHEMBL6942703 0.80 CALM1 (0.49) SMN1; SMN2KMT2AHSD17B10CYP3A4ALDH1A1
SCHEMBL1744784 0.79 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6944624 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6942293 0.79 ALDH1A1 (0.51) HSD17B10CYP3A4ALDH1A1L3MBTL1IGFBP3

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
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 SMN1; SMN2 3678/4885MEN1 3177/4885KMT2A 2660/4885

“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.