SCHEMBL13709643

SCHEMBL13709643

N=C(N)c1cc2ccc(OCc3nc4ccccc4s3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 5/20 0.66
F10 P00742 5/20 0.66
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPT P10636 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.54
ALOX5 P09917 4/20 0.49
EPHX2 P34913 4/20 0.49
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CFD P00746 1/20 0.47
C1S P09871 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL13709494 0.81 F9 (0.74) F9F10ALOX5CFDC1S
SCHEMBL13709591 0.80 CYP1A2 (0.50) F9F10SMN1; SMN2EPHX2CFD
SCHEMBL13709656 0.80 F9 (1.00) F9F10NPC1RAB9AMAPT
SCHEMBL13709773 0.79 F9 (0.66) F9F10CFDC1SHDAC6
SCHEMBL13709565 0.79 F9 (0.65) F9F10CFDC1SHDAC6
SCHEMBL13709508 0.79 F9 (0.68) F9F10CFDC1SHDAC6
SCHEMBL13709783 0.78 F9 (0.70) F9F10CFDC1SHDAC6
SCHEMBL13709543 0.77 F9 (0.70) F9F10NPC1RAB9ACFD
SCHEMBL13709541 0.77 F9 (0.66) F9F10CFDC1SHDAC6
SCHEMBL13709570 0.77 F9 (0.70) F9F10CFDC1SHDAC6

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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 US disclosed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease F12, F5, F3 F9 5/4885F10 7/4885NPC1 3342/4885

“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.