SCHEMBL915332

SCHEMBL915332

O=c1oc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.81
F2 P00734 4/20 0.70
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
RXFP1 Q9HBX9 1/20 0.69
ALDH1A1 P00352 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 1/20 0.64
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TP53 P04637 2/20 0.59
HPGD P15428 5/20 0.59
C1R P00736 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PLG P00747 1/20 0.56
KLK1 P06870 1/20 0.56
PRSS1 P07477 1/20 0.56

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
SCHEMBL125184 0.90 ELANE (0.93) ELANEF2NPC1RAB9ARXFP1
SCHEMBL29456973 0.90 ELANE (0.93) ELANEF2NPC1RAB9ARXFP1
SCHEMBL29382161 0.90 ELANE (1.00) ELANEF2NPC1RAB9ARXFP1
SCHEMBL272702 0.90 ELANE (1.00) ELANEF2NPC1RAB9ARXFP1
SCHEMBL3254378 0.88 ELANE (0.89) ELANEF2NPC1RAB9ARXFP1
SCHEMBL12212888 0.88 ELANE (0.89) ELANEF2NPC1RAB9ARXFP1
SCHEMBL273036 0.86 ELANE (0.93) ELANEF2NPC1RAB9ARXFP1
SCHEMBL271965 0.84 ELANE (0.83) ELANEF2NPC1RAB9ARXFP1
SCHEMBL29444225 0.84 ELANE (0.83) ELANEF2NPC1RAB9ARXFP1
SCHEMBL272287 0.84 ELANE (0.81) ELANEF2NPC1RAB9ARXFP1

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 11 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 claimed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US claimed
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 claimed
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 claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
US-20060052345-A1 Quinazolinone compounds as calcilytics NPS PHARMACEUTICALS, INC. (US) 2006-03-09 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 (3 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 ELANE 353/4885F2 485/4885NPC1 4151/4885
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 ELANE 1479/4885F2 102/4885NPC1 1604/4885
US-20060052345-A1 Quinazolinone compounds as calcilytics CALCR, CALCRL, CASR ELANE 3009/4885F2 3124/4885NPC1 2093/4885

“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.