SCHEMBL913329

SCHEMBL913329

O=c1oc(-c2ccc(Cl)c(Cl)c2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.66
KMT2A Q03164 7/20 0.63
RAB9A P51151 7/20 0.63
MEN1 O00255 6/20 0.63
MAPT P10636 5/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.58
ELANE P08246 1/20 0.58
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
C1R P00736 2/20 0.46
OPRK1 P41145 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45

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
SCHEMBL6563905 0.88 RAB9A (0.78) APEX1KMT2ARAB9AMEN1MAPT
SCHEMBL6565102 0.87 RAB9A (0.69) APEX1KMT2ARAB9AMEN1MAPT
SCHEMBL2242707 0.84 RAB9A (0.67) KMT2ARAB9AMEN1MAPTL3MBTL1
SCHEMBL3196058 0.81 RAB9A (0.68) KMT2ARAB9AMEN1MAPTL3MBTL1
SCHEMBL913577 0.80 ELANE (0.56) KMT2ARAB9AMEN1MAPTTDP1
SCHEMBL6169453 0.80 RAB9A (0.65) APEX1KMT2ARAB9AMEN1MAPT
SCHEMBL12758424 0.80 RAB9A (0.62) APEX1KMT2ARAB9AMEN1MAPT
SCHEMBL914420 0.80 APEX1 (1.00) APEX1KMT2ARAB9AMEN1MAPT
SCHEMBL6567235 0.78 MEN1 (0.72) APEX1KMT2ARAB9AMEN1MAPT
SCHEMBL11815920 0.78 ELANE (0.67) KMT2ARAB9AMEN1MAPTL3MBTL1

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
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 APEX1 1422/4885KMT2A 2584/4885RAB9A 3514/4885

“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.