SCHEMBL13709595

SCHEMBL13709595

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.74
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
PLAU P00749 2/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAT P00750 1/20 0.51
KLKB1 P03952 1/20 0.51
KLK1 P06870 1/20 0.51
PRSS1 P07477 1/20 0.51
SENP5 Q96HI0 1/20 0.51
SENP2 Q9HC62 1/20 0.51
SENP1 Q9P0U3 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PSMB8 P28062 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL13709530 0.90 HDAC1 (0.74) HDAC1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL7320266 0.87 PLAU (0.65) HDAC1NPC1RAB9APLAUF2
SCHEMBL1887309 0.85 HDAC1 (1.00) HDAC1SENP5SENP2SENP1
SCHEMBL13709559 0.84 HDAC1 (0.54) HDAC1NPC1RAB9APLAUF2
SCHEMBL13709593 0.84 NPC1 (0.57) HDAC1NPC1RAB9ASMN1; SMN2PLAU
SCHEMBL13709594 0.83 NPC1 (0.57) HDAC1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL13709555 0.80 HDAC1 (0.74) HDAC1NPC1RAB9APLAUF2
SCHEMBL13709657 0.79 F9 (0.50) HDAC1NPC1RAB9AKMT2A
SCHEMBL1892852 0.79 HDAC1 (0.85) HDAC1
SCHEMBL5566603 0.77 PLAU (0.78) NPC1RAB9APLAUF2PLG

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 HDAC1 827/4885NPC1 3342/4885RAB9A 1135/4885

“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.