SCHEMBL914420

SCHEMBL914420

O=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 1.00
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 5/20 0.53
NPBWR1 P48145 3/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
C1R P00736 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
ELANE P08246 1/20 0.48
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
F2 P00734 1/20 0.45
SLC2A1 P11166 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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 0.88 APEX1 (0.79) APEX1MEN1KMT2AMAPTNPBWR1
SCHEMBL915000 0.84 APEX1 (0.73) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL914083 0.81 APEX1 (0.68) APEX1MEN1KMT2AMAPTNPBWR1
SCHEMBL914233 0.80 APEX1 (0.67) APEX1RAB9AC1RELANEALDH1A1
SCHEMBL915741 0.80 APEX1 (0.66) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL913329 0.80 APEX1 (0.66) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL6563905 0.79 RAB9A (0.78) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL914529 0.79 APEX1 (0.65) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL916032 0.78 C1R (0.74) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL914439 0.78 C1R (0.74) APEX1MEN1KMT2AMAPTRAB9A

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 APEX1 1422/4885MEN1 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.