SCHEMBL13709657

SCHEMBL13709657

N=C(N)c1cc2ccc(C(=O)c3ccccc3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.50
C1S P09871 2/20 0.49
CFD P00746 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HSD17B1 P14061 1/20 0.49
DYRK1A Q13627 2/20 0.47
CLK1 P49759 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 4/20 0.45
BCL2L1 Q07817 1/20 0.44
F10 P00742 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PBRM1 Q86U86 1/20 0.41
SLC9A1 P19634 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
SCHEMBL13709557 0.85 C1S (0.50) F9C1SCFDHDAC6HSD17B1
SCHEMBL7320266 0.81 PLAU (0.65) NPC1RAB9AHDAC1
SCHEMBL13709655 0.81 CA2 (0.56) F9C1SCFDHDAC6DYRK1A
SCHEMBL7214431 0.79 C1S (0.70) F9C1SCFDHDAC6MEN1
SCHEMBL13709595 0.79 HDAC1 (0.74) NPC1RAB9AKMT2AHDAC1
SCHEMBL13709560 0.78 HDAC1 (0.76) F9HDAC6CLK1HDAC1F10
SCHEMBL13709548 0.77 HDAC1 (0.70) F9C1SCFDHDAC6MEN1
SCHEMBL13709608 0.77 PLAU (0.61) F9C1SCFDHDAC6HDAC1
SCHEMBL16492868 0.76 C1S (0.57) F9C1SCFDHDAC6HSD17B1
SCHEMBL13709559 0.76 HDAC1 (0.54) MEN1NPC1RAB9AKMT2AHDAC1

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 5/4885C1S 45/4885CFD 70/4885

“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.