SCHEMBL913630

SCHEMBL913630

COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.60
KLK14 Q9P0G3 8/20 0.60
KLK5 Q9Y337 8/20 0.60
CTSG P08311 6/20 0.60
CTRC Q99895 2/20 0.60
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
C1R P00736 1/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
PTK2B Q14289 1/20 0.47
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
XDH P47989 1/20 0.45
PDGFRA P16234 1/20 0.43

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
SCHEMBL7174591 0.82 ELANE (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL915741 0.81 APEX1 (0.66) KLK7KLK14KLK5CTSGCTRC
SCHEMBL914284 0.81 ELANE (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL913997 0.77 KMT2A (0.67) KLK7KLK14KLK5CTSGCTRC
SCHEMBL18352860 0.76 KLK7 (1.00) KLK7KLK14KLK5CTSGCTRC
SCHEMBL17554019 0.75 KLK7 (0.72) KLK7KLK14KLK5CTSGCTRC
SCHEMBL914093 0.75 C1R (0.66) KLK7KLK14KLK5CTSGCTRC
SCHEMBL912869 0.74 MEN1 (0.60) KLK7KLK14KLK5CTSGCTRC
SCHEMBL19971998 0.73 MMP2 (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22952908 0.70 KLK7 (0.67) KLK7KLK14KLK5CTSGCTRC

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 KLK7 590/4885KLK14 385/4885KLK5 280/4885

“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.