SCHEMBL915530

SCHEMBL915530

O=c1ccoc(-c2cnccn2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
TERT O14746 2/20 0.36
PIEZO1 Q92508 5/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
METAP2 P50579 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 2/20 0.33
ALOX5AP P20292 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.33
GRM5 P41594 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL982756 0.74 HPGDS (0.39) NPC1RAB9APKMTERTPIEZO1
SCHEMBL6264053 0.71 TERT (0.38) NPC1RAB9APKMTERTPIEZO1
SCHEMBL12571357 0.67 HCAR2 (0.50) PIM1PIM2MEN1ALDH1A1KMT2A
SCHEMBL5321481 0.66 NISCH (0.43) NPC1RAB9APKMPIM1METAP2
SCHEMBL914123 0.66 ALDH1A1 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL78566 0.65 NISCH (0.50) NPC1RAB9APKMPIM1METAP2
SCHEMBL29598957 0.65 NISCH (0.50) NPC1RAB9APKMPIM1METAP2
SCHEMBL29454745 0.65 NISCH (0.50) NPC1RAB9APKMPIM1METAP2
Bicarbonate SCHEMBL31484615 0.64 HCAR2 (0.56) PIM1PIM2METAP2ALDH1A1
SCHEMBL13700917 0.64 F2 (0.63) NPC1RAB9AMETAP2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 NPC1 4151/4885RAB9A 3514/4885PKM 1104/4885

“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.