SCHEMBL913737

SCHEMBL913737

O=c1oc(-c2cccc(F)c2F)nc2cc(F)c(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1R P00736 7/20 0.57
APEX1 P27695 1/20 0.56
F7 P08709 5/20 0.51
F3 P13726 5/20 0.51
F10 P00742 2/20 0.51
ELANE P08246 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
F2 P00734 1/20 0.46
CTSG P08311 2/20 0.45
KLK7 P49862 2/20 0.45
KLK14 Q9P0G3 2/20 0.45
KLK5 Q9Y337 2/20 0.45
HPN P05981 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL915773 0.88 C1R (0.73) C1RAPEX1F7F3F10
SCHEMBL913631 0.84 F7 (0.67) C1RAPEX1F7F3F10
SCHEMBL914180 0.82 APEX1 (0.56) C1RAPEX1F7F3F10
SCHEMBL914069 0.80 F7 (0.63) C1RAPEX1F7F3F10
SCHEMBL14370228 0.79 ELANE (0.64) C1RAPEX1F7F3F10
SCHEMBL914380 0.79 C1R (0.70) C1RAPEX1ELANEMEN1KMT2A
SCHEMBL916119 0.79 APEX1 (0.55) C1RAPEX1F7F3F10
SCHEMBL4850801 0.78 ELANE (0.66) C1RAPEX1ELANEMEN1KMT2A
SCHEMBL913679 0.77 CTSG (0.51) C1RAPEX1F7F3F10
SCHEMBL914212 0.75 ELANE (0.68) C1RELANE

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 C1R 202/4885APEX1 1422/4885F7 3152/4885

“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.