SCHEMBL914284

SCHEMBL914284

COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc3cccc(Cl)c3c(=O)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.55
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
C1R P00736 1/20 0.45
PBRM1 Q86U86 1/20 0.44
LMNA P02545 2/20 0.43
APEX1 P27695 1/20 0.43
CASP3 P42574 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE7A Q13946 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7174591 0.90 ELANE (0.59) ELANENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL913630 0.81 KLK7 (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19971998 0.75 MMP2 (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9986142 0.72 ELANE (1.00) ELANEC1RPBRM1
SCHEMBL19972001 0.71 MMP2 (0.54) ELANENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL915741 0.68 APEX1 (0.66) ELANENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL915802 0.68 KMT2A (0.65) ELANENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5834840 0.67 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9984780 0.67 ELANE (1.00) ELANEMAPTC1RPBRM1MEN1
SCHEMBL8205817 0.67 ELANE (0.65) ELANEC1RPBRM1

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 6 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

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 ELANE 353/4885NPC1 4151/4885RAB9A 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.