SCHEMBL6086170

SCHEMBL6086170

COC(Cn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O)OC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.62
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
P2RX3 P56373 1/20 0.46
CTRC Q99895 1/20 0.46

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
SCHEMBL7301356 0.93 ELANE (0.64) ELANEP2RX3
SCHEMBL6557678 0.90 ELANE (0.60) ELANENPC1RAB9AP2RX3CTRC
SCHEMBL7296453 0.87 ELANE (0.64) ELANENPC1RAB9AP2RX3
SCHEMBL6558195 0.86 ELANE (0.55) ELANEP2RX3CTRC
SCHEMBL6557667 0.85 ELANE (0.63) ELANE
SCHEMBL6556313 0.85 ELANE (0.55) ELANE
SCHEMBL6556275 0.85 ELANE (0.57) ELANEP2RX3CTRC
SCHEMBL6085435 0.84 ELANE (0.67) ELANENPC1RAB9ACTRC
SCHEMBL6557643 0.84 ELANE (0.64) ELANE
SCHEMBL6558300 0.84 ELANE (0.63) ELANEP2RX3CTRC

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-03-10 US disclosed
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 US disclosed
US-6750342-B1 INHIBITORS OF SERINE PROTEASES; ANTICOAGULANT PHARMACIA CORPORATION 2004-06-15 US disclosed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 US disclosed
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
US-6534658-B1 Intermediates for producing pharmaceuticals ONO PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
EP-1197489-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
EP-1162199-A1 1,3,4-OXADIAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP 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 (2 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-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, SERPINC1 ELANE 182/4885NPC1 3466/4885RAB9A 3570/4885
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same OXA1L, CYP1B1, OXER1 ELANE 4189/4885NPC1 4593/4885RAB9A 4221/4885

“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.