SCHEMBL912869

SCHEMBL912869

COc1cc2nc(-c3cc(C)ccc3[N+](=O)[O-])oc(=O)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KLK7 P49862 9/20 0.57
KLK14 Q9P0G3 9/20 0.57
KLK5 Q9Y337 9/20 0.57
CTSG P08311 7/20 0.57
CTRC Q99895 2/20 0.57
HSD17B10 Q99714 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
PTK2B Q14289 1/20 0.54
MAPK1 P28482 1/20 0.50
C1R P00736 2/20 0.48
F2 P00734 1/20 0.48
KLK3 P07288 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PRSS1 P07477 1/20 0.45
ELANE P08246 1/20 0.44

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
SCHEMBL7174683 0.81 C1R (0.73) MEN1KMT2AMAPTC1RF2
SCHEMBL915062 0.77 KMT2A (0.64) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL915741 0.77 APEX1 (0.66) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL913598 0.77 ALDH1A1 (0.51) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL22272031 0.75 MEN1 (1.00) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL913997 0.74 KMT2A (0.67) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL913630 0.74 KLK7 (0.60) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL22952908 0.74 KLK7 (0.67) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL18352860 0.72 KLK7 (1.00) MEN1KMT2AKLK7KLK14KLK5
SCHEMBL4202365 0.72 MEN1 (0.75) MEN1KMT2AKLK7KLK14KLK5

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 MEN1 1609/4885KMT2A 2584/4885KLK7 590/4885

“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.