SCHEMBL13709593

SCHEMBL13709593

COc1ccc(C(=O)Nc2ccc3cc(C(=N)N)sc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
HDAC1 Q13547 3/20 0.56
TP53 P04637 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
PLAU P00749 4/20 0.54
PLG P00747 1/20 0.54
ALOX15 P16050 1/20 0.53
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL13709595 0.84 HDAC1 (0.74) NPC1RAB9AHDAC1SMN1; SMN2ALDH1A1
SCHEMBL13709512 0.79 F9 (0.56) CYP1A2CYP3A4CYP2C19
SCHEMBL7318967 0.78 PLAU (0.72) NPC1RAB9AHDAC1PLAUPLG
SCHEMBL6508477 0.78 HDAC1 (0.71) NPC1RAB9AHDAC1TP53SMN1; SMN2
SCHEMBL7320266 0.77 PLAU (0.65) NPC1RAB9AHDAC1ALDH1A1PLAU
SCHEMBL13709548 0.76 HDAC1 (0.70) NPC1RAB9AHDAC1SMN1; SMN2ALDH1A1
SCHEMBL1886161 0.76 HDAC1 (0.67) NPC1RAB9AHDAC1TP53SMN1; SMN2
SCHEMBL13709559 0.75 HDAC1 (0.54) NPC1RAB9AHDAC1PLAUPLG
SCHEMBL13709530 0.75 HDAC1 (0.74) NPC1RAB9AHDAC1SMN1; SMN2ALDH1A1
SCHEMBL13709655 0.75 CA2 (0.56) HDAC1ALDH1A1PLAU

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

“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.