SCHEMBL13709591

SCHEMBL13709591

N=C(N)c1cc2ccc(Oc3nc4ccccc4s3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F9 P00740 4/20 0.49
F10 P00742 3/20 0.49
C1S P09871 2/20 0.49
CFD P00746 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LTA4H P09960 12/20 0.43
KCNH2 Q12809 2/20 0.43
EPHX2 P34913 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
SCHEMBL3748560 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13709643 0.80 F9 (0.66) SMN1; SMN2F9F10C1SCFD
SCHEMBL3741582 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13709596 0.77 F9 (0.59) F9F10C1SCFDHDAC6
SCHEMBL3746579 0.75 LTA4H (0.49) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL11471037 0.75 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13709512 0.73 F9 (0.56) CYP1A2CYP3A4CYP2C19F9F10
SCHEMBL563279 0.72 F9 (0.65) F9F10C1SCFDHDAC6
SCHEMBL30583137 0.72 F9 (0.65) F9F10C1SCFDHDAC6
SCHEMBL8683981 0.71 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2

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 CYP1A2 105/4885CYP3A4 258/4885CYP2D6 458/4885

“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.