SCHEMBL913598

SCHEMBL913598

COc1cc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)oc(=O)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 2/20 0.51
KLK7 P49862 6/20 0.51
KLK14 Q9P0G3 6/20 0.51
KLK5 Q9Y337 6/20 0.51
CTSG P08311 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CTRC Q99895 2/20 0.50
PTK2B Q14289 1/20 0.50
MAPK1 P28482 1/20 0.49
RAB9A P51151 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
ALOX5 P09917 1/20 0.46
POLB P06746 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
SCHEMBL8493678 0.89 MEN1 (0.50) ALDH1A1HPGDNPC1KDM4EKLK7
SCHEMBL914184 0.85 ALOX5 (0.48) ALDH1A1HPGDNPC1KDM4EMEN1
SCHEMBL914010 0.85 KDM4E (0.58) ALDH1A1HPGDNPC1KDM4EKLK7
SCHEMBL915014 0.82 MEN1 (0.54) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL22952908 0.81 KLK7 (0.67) ALDH1A1HPGDNPC1KDM4EKLK7
SCHEMBL915856 0.81 KMT2A (0.71) ALDH1A1HPGDNPC1KDM4EMEN1
SCHEMBL913997 0.80 KMT2A (0.67) ALDH1A1HPGDNPC1KDM4EKLK7
SCHEMBL914160 0.80 KLK7 (0.60) ALDH1A1HPGDNPC1KDM4EKLK7
SCHEMBL915741 0.78 APEX1 (0.66) ALDH1A1HPGDNPC1KDM4EKLK7
SCHEMBL912869 0.77 MEN1 (0.60) ALDH1A1HPGDKDM4EKLK7KLK14

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 5 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

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 ALDH1A1 584/4885HPGD 73/4885NPC1 4151/4885

“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.