SCHEMBL913690

SCHEMBL913690

COc1ccc(Cl)cc1-c1nc2ccccc2c(=O)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.74
C1R P00736 6/20 0.72
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 3/20 0.64
NPC1 O15118 2/20 0.64
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.54
F2 P00734 2/20 0.54
APEX1 P27695 1/20 0.54
MEN1 O00255 1/20 0.53
KLK7 P49862 5/20 0.52
KLK14 Q9P0G3 5/20 0.52
KLK5 Q9Y337 5/20 0.52
CTSG P08311 4/20 0.52
PRSS1 P07477 2/20 0.52
PLG P00747 1/20 0.51

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
SCHEMBL9984612 0.85 ELANE (1.00) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL7316897 0.84 ELANE (0.60) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL30366271 0.84 C1R (1.00) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL692226 0.84 C1R (1.00) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL916032 0.80 C1R (0.74) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL5794442 0.79 ELANE (0.71) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL16430960 0.78 ALDH1A1 (1.00) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL12927385 0.77 C1R (0.77) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL17554130 0.76 C1R (0.78) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL914418 0.75 ALDH1A1 (0.76) ELANEC1RALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US claimed
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
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 ELANE 353/4885C1R 202/4885ALDH1A1 584/4885

“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.