SCHEMBL13779307

SCHEMBL13779307

Cn1c(CNc2ccc(O)cc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 1.00
RAB9A P51151 15/20 1.00
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
SMN1; SMN2 Q16637 8/20 0.78
KDM4E B2RXH2 4/20 0.78
TP53 P04637 4/20 0.77
ALDH1A1 P00352 4/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
NFKB1 P19838 2/20 0.77
NFKB2 Q00653 2/20 0.77
RELA Q04206 2/20 0.77
ALOX15 P16050 1/20 0.77
LMNA P02545 5/20 0.75
MAPT P10636 4/20 0.75
GFER P55789 2/20 0.75
MAPK1 P28482 1/20 0.75
KLK1 P06870 1/20 0.70
KLK5 Q9Y337 1/20 0.70
GAA P10253 4/20 0.67

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
SCHEMBL31243047 0.88 NPC1 (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2245500 0.86 NPC1 (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7453257 0.83 KLK5 (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7447463 0.82 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2250039 0.81 NPC1 (0.77) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3637218 0.80 NPC1 (0.71) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1391425 0.80 NPC1 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5608972 0.78 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1374759 0.77 NPC1 (0.71) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2486560 0.76 RAB9A (0.68) NPC1RAB9AKMT2AMEN1SMN1; 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE NPC1 1716/4885RAB9A 959/4885KMT2A 2487/4885

“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.