SCHEMBL914439

SCHEMBL914439

O=c1oc(-c2ccccc2[N+](=O)[O-])nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C1R P00736 7/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
MAPT P10636 4/20 0.74
F2 P00734 1/20 0.74
APEX1 P27695 1/20 0.64
KLK3 P07288 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
ELANE P08246 1/20 0.56
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
EIF4A1 P60842 2/20 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
SCHEMBL914778 0.86 APEX1 (0.63) C1RMEN1KMT2AMAPTF2
SCHEMBL10924688 0.85 C1R (1.00) C1RMEN1KMT2AMAPTF2
SCHEMBL914109 0.85 C1R (0.74) C1RMEN1KMT2AMAPTF2
SCHEMBL914093 0.83 C1R (0.66) C1RMEN1KMT2AMAPTF2
SCHEMBL914069 0.82 F7 (0.63) C1RMEN1KMT2AMAPTF2
SCHEMBL6563905 0.81 RAB9A (0.78) C1RMEN1KMT2AMAPTAPEX1
SCHEMBL914529 0.81 APEX1 (0.65) C1RMEN1KMT2AMAPTF2
SCHEMBL914223 0.81 APEX1 (0.56) C1RMEN1KMT2AMAPTF2
SCHEMBL28335514 0.81 RAB9A (0.69) C1RMEN1KMT2AMAPTF2
SCHEMBL914420 0.78 APEX1 (1.00) C1RMEN1KMT2AMAPTF2

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 7 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
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 202/4885MEN1 1609/4885KMT2A 2584/4885

“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.