SCHEMBL914419

SCHEMBL914419

O=c1oc(-c2ccccc2Cl)nc2ccc(I)cc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C1R P00736 10/20 0.70
▸ KLK7 P49862 4/20 0.62
▸ KLK14 Q9P0G3 4/20 0.62
▸ KLK5 Q9Y337 4/20 0.62
▸ CTSG P08311 3/20 0.62
▸ PRSS1 P07477 2/20 0.62
▸ ELANE P08246 1/20 0.57
▸ F2 P00734 1/20 0.55
▸ PLG P00747 1/20 0.55
▸ KLK1 P06870 1/20 0.55
▸ C1S P09871 1/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ APEX1 P27695 2/20 0.49
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL914233 0.85 APEX1 (0.67) C1RKLK7KLK14KLK5CTSG
SCHEMBL914173 0.84 C1R (0.72) C1RKLK7KLK14KLK5CTSG
SCHEMBL5780185 0.83 C1R (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL7187052 0.82 ALDH1A1 (0.57) C1RKLK7KLK14KLK5CTSG
SCHEMBL6565178 0.78 ELANE (0.56) C1RPRSS1ELANEF2PLG
SCHEMBL9984778 0.78 APEX1 (0.76) C1RKLK7KLK14KLK5CTSG
SCHEMBL18352966 0.76 KLK7 (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL912875 0.76 KLK7 (0.85) C1RKLK7KLK14KLK5CTSG
SCHEMBL9985390 0.76 C1R (0.70) C1RKLK7KLK14KLK5CTSG
SCHEMBL18353429 0.74 KLK7 (1.00) C1RKLK7KLK14KLK5CTSG

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 — — WO claimed
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
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
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 — — 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 202/4885KLK7 590/4885KLK14 385/4885

“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.

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