SCHEMBL913416

SCHEMBL913416

COc1cc2nc(-c3ccccc3I)oc(=O)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 1.00
KLK14 Q9P0G3 8/20 1.00
KLK5 Q9Y337 8/20 1.00
CTSG P08311 6/20 1.00
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
C1R P00736 8/20 0.72
CTRC Q99895 2/20 0.70
PRSS1 P07477 2/20 0.63
F2 P00734 1/20 0.63
PLG P00747 1/20 0.63
KLK1 P06870 1/20 0.63
C1S P09871 1/20 0.63
HSD17B10 Q99714 2/20 0.59
MAPK1 P28482 1/20 0.59
ELANE P08246 1/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
PTK2B Q14289 1/20 0.57

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
SCHEMBL22272031 0.86 MEN1 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL914283 0.85 MEN1 (0.75) KLK7KLK14KLK5CTSGMEN1
SCHEMBL912875 0.85 KLK7 (0.85) KLK7KLK14KLK5CTSGMEN1
SCHEMBL4202365 0.85 MEN1 (0.75) KLK7KLK14KLK5CTSGMEN1
SCHEMBL18352965 0.82 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL14263020 0.82 C1R (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL8499615 0.81 KMT2A (0.70) KLK7KLK14KLK5CTSGMEN1
SCHEMBL18353427 0.81 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL22952908 0.79 KLK7 (0.67) KLK7KLK14KLK5CTSGMEN1
SCHEMBL18352860 0.78 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1

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 16 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
EP-3097085-B1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2020-07-29 EP disclosed
US-20170267692-A1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2017-09-21 US disclosed
US-20170267692-A1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2017-09-21 US disclosed
US-9695194-B2 Benzoxazinone derivatives for treatment of skin diseases SIXERA PHARMA AB (SE) 2017-07-04 US disclosed
US-9695194-B2 Benzoxazinone derivatives for treatment of skin diseases SIXERA PHARMA AB (SE) 2017-07-04 US disclosed
US-20170002021-A1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2017-01-05 US disclosed
US-20170002021-A1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2017-01-05 US disclosed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
EP-1631295-B1 USE OF CONDENSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN DISEASES AREXIS AB (SE) 2010-03-03 EP 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 (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 KLK7 590/4885KLK14 385/4885KLK5 280/4885
US-20170267692-A1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES KLK5, KLK14, KLK7 KLK7 3/4885KLK14 2/4885KLK5 1/4885
US-20170002021-A1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES KLK5, KLK14, KLK7 KLK7 3/4885KLK14 2/4885KLK5 1/4885

“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.