SCHEMBL13709596

SCHEMBL13709596

N=C(N)c1cc2ccc(Oc3ncccn3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F9 P00740 14/20 0.59
F10 P00742 11/20 0.59
C1S P09871 2/20 0.53
CFD P00746 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAB9A P51151 1/20 0.46
PLAU P00749 1/20 0.42
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13709512 0.80 F9 (0.56) F9F10C1SCFDHDAC6
SCHEMBL13709565 0.79 F9 (0.65) F9F10C1SCFDHDAC6
SCHEMBL13709591 0.77 CYP1A2 (0.50) F9F10C1SCFDHDAC6
SCHEMBL13709731 0.75 F9 (0.62) F9F10C1SCFDHDAC6
SCHEMBL13709494 0.75 F9 (0.74) F9F10C1SCFDHDAC6
SCHEMBL13709781 0.74 F9 (0.73) F9F10C1SCFDHDAC6
SCHEMBL13709531 0.74 F9 (1.00) F9F10C1SCFDHDAC6
SCHEMBL13709696 0.74 F9 (0.60) F9F10C1SCFDHDAC6
SCHEMBL13709773 0.74 F9 (0.66) F9F10C1SCFDHDAC6
SCHEMBL13709701 0.73 F9 (0.65) F9F10

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 7/4885C1S 45/4885

“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.