SCHEMBL914083

SCHEMBL914083

O=c1oc(-c2cc([N+](=O)[O-])ccc2Cl)nc2cc(Cl)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.68
C1R P00736 8/20 0.60
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
ELANE P08246 2/20 0.52
MAPT P10636 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F2 P00734 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPBWR1 P48145 1/20 0.45
THRB P10828 1/20 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
SCHEMBL914365 0.91 APEX1 (0.79) APEX1C1RF7F3ELANE
SCHEMBL915802 0.87 KMT2A (0.65) APEX1C1RF7F3ELANE
SCHEMBL914201 0.84 MEN1 (0.68) APEX1C1RF7F3ELANE
SCHEMBL4505279 0.84 MAPT (0.58) APEX1MAPTMEN1KMT2AKDM4E
SCHEMBL4513288 0.81 APEX1 (0.59) APEX1MAPTMEN1KMT2AL3MBTL1
SCHEMBL914420 0.81 APEX1 (1.00) APEX1C1RF7F3ELANE
SCHEMBL31742427 0.79 MEN1 (0.67) APEX1C1RF7F3ELANE
SCHEMBL915014 0.79 MEN1 (0.54) APEX1C1RF7F3ELANE
SCHEMBL9984778 0.78 APEX1 (0.76) APEX1C1RELANEMAPTMEN1
SCHEMBL913800 0.78 APEX1 (0.67) APEX1C1RELANEMAPTMEN1

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 1422/4885C1R 202/4885F7 3152/4885

“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.