SCHEMBL5476399

SCHEMBL5476399

O=C(CCl)Nc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 8/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 3/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 2/20 0.44
PNMT P11086 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 1/20 0.41
MITF O75030 1/20 0.40

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
SCHEMBL7816504 0.85 NPC1 (0.71) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL7931528 0.85 NPC1 (0.67) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20887168 0.85 RAB9A (0.71) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8670900 0.83 NPC1 (0.60) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1567603 0.81 RAB9A (0.74) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1156914 0.81 NPC1 (0.74) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL144325 0.80 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3503935 0.80 NPC1 (0.67) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20887163 0.78 NPC1 (0.68) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL147377 0.78 RAB9A (0.73) NPC1RAB9AALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A NPC1 608/4885RAB9A 3011/4885ALDH1A1 489/4885

“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.