SCHEMBL916008

SCHEMBL916008

COC(=O)c1cccc2nc(-c3ccccc3F)oc(=O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.61
C1R P00736 2/20 0.54
F2 P00734 1/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
APEX1 P27695 1/20 0.46
TOP2A P11388 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL914985 0.88 F7 (0.46) ELANEC1RRAB9ANPC1F7
SCHEMBL914412 0.88 ELANE (0.58) ELANEC1RF2RAB9AF10
SCHEMBL14263049 0.85 ELANE (0.61) ELANEC1RF2RAB9ANPC1
SCHEMBL17554052 0.81 ELANE (0.79) ELANEC1RF2RAB9AF10
SCHEMBL914363 0.78 KDM4E (0.52) ELANEF2RAB9ANPC1MAPT
SCHEMBL913508 0.77 ALDH1A1 (0.53) ELANEF2RAB9ANPC1MAPT
SCHEMBL29849973 0.76 ELANE (1.00) ELANEC1RF2RAB9AF10
SCHEMBL9984776 0.76 ELANE (1.00) ELANEC1RF2RAB9AF10
SCHEMBL17554099 0.76 ELANE (0.73) ELANEC1RMAPTKDM4EKMT2A
SCHEMBL5921264 0.75 ELANE (0.56) ELANEC1RF2RAB9ANPC1

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 202/4885F2 485/4885

“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.