SCHEMBL914529

SCHEMBL914529

O=c1oc(-c2cccnc2Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.65
C1R P00736 7/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ELANE P08246 2/20 0.49
F2 P00734 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
KLK3 P07288 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRK1 P41145 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
SCHEMBL914439 0.81 C1R (0.74) APEX1C1RKMT2AMEN1MAPT
SCHEMBL914778 0.80 APEX1 (0.63) APEX1C1RKMT2AMEN1MAPT
SCHEMBL914420 0.79 APEX1 (1.00) APEX1C1RKMT2AMEN1MAPT
SCHEMBL914069 0.78 F7 (0.63) APEX1C1RKMT2AMEN1MAPT
SCHEMBL6563905 0.78 RAB9A (0.78) APEX1C1RKMT2AMEN1MAPT
SCHEMBL914093 0.77 C1R (0.66) APEX1C1RKMT2AMEN1MAPT
SCHEMBL916119 0.77 APEX1 (0.55) APEX1C1RKMT2AMEN1ELANE
SCHEMBL914542 0.76 C1R (0.53) C1RKMT2AMEN1MAPTELANE
SCHEMBL913329 0.75 APEX1 (0.66) APEX1C1RKMT2AMEN1MAPT
SCHEMBL915000 0.75 APEX1 (0.73) APEX1C1RKMT2AMEN1MAPT

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-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

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 202/4885KMT2A 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.