SCHEMBL17488209

SCHEMBL17488209

Cn1c(NCc2ccc(Oc3ccccn3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ACACB O00763 1/20 0.41
TP53 P04637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
P2RX3 P56373 4/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARG P37231 1/20 0.39
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.36
PDE10A Q9Y233 2/20 0.36

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
SCHEMBL17488224 0.90 NPC1 (0.45) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL18965769 0.89 NPC1 (0.41) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL17488242 0.87 NPC1 (0.41) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL18965627 0.87 LMNA (0.41) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL17488309 0.86 NPC1 (0.40) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL18965788 0.86 P2RX3 (0.40) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL17488173 0.86 CYP3A4 (0.48) NPC1RAB9AP2RX3KMT2ASMN1; SMN2
SCHEMBL17487754 0.85 RAB9A (0.51) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL18965766 0.85 NPC1 (0.50) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL18965767 0.85 NPC1 (0.40) NPC1RAB9ATP53ALDH1A1LMNA

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 NPC1 2764/4885RAB9A 3982/4885ACACB 948/4885

“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.