SCHEMBL913450

SCHEMBL913450

O=c1oc(-c2ccccc2I)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C1R P00736 15/20 1.00
F2 P00734 2/20 1.00
PLG P00747 1/20 1.00
KLK1 P06870 1/20 1.00
PRSS1 P07477 1/20 1.00
C1S P09871 1/20 1.00
KMT2A Q03164 3/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ELANE P08246 2/20 0.63
CTSG P08311 1/20 0.63
KLK7 P49862 1/20 0.63
KLK14 Q9P0G3 1/20 0.63
KLK5 Q9Y337 1/20 0.63
MEN1 O00255 2/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL9475884 0.88 C1R (0.78) C1RF2PLGKLK1PRSS1
SCHEMBL29791056 0.88 C1R (0.78) C1RF2PLGKLK1PRSS1
SCHEMBL9475739 0.86 C1R (0.76) C1RF2PLGKLK1PRSS1
SCHEMBL18963257 0.86 C1R (0.76) C1RF2PLGKLK1PRSS1
SCHEMBL30914649 0.84 ELANE (0.73) C1RF2PLGKLK1PRSS1
SCHEMBL2537274 0.84 ELANE (0.73) C1RF2PLGKLK1PRSS1
SCHEMBL14263020 0.83 C1R (1.00) C1RF2PLGKLK1PRSS1
SCHEMBL272287 0.82 ELANE (0.81) C1RF2PLGKLK1PRSS1
SCHEMBL11815601 0.82 ELANE (0.75) C1RF2PLGKLK1PRSS1
SCHEMBL2816912 0.82 C1R (0.69) C1RF2PLGKLK1PRSS1

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 4 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 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 (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 202/4885F2 485/4885PLG 209/4885

“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.