SCHEMBL913330

SCHEMBL913330

O=c1oc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.81
MEN1 O00255 6/20 0.81
ELANE P08246 2/20 0.81
MAPT P10636 5/20 0.78
L3MBTL1 Q9Y468 2/20 0.78
F2 P00734 3/20 0.61
C1R P00736 2/20 0.61
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 6/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KLK3 P07288 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
MMP2 P08253 1/20 0.51

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
SCHEMBL29633854 0.89 KMT2A (1.00) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL692321 0.89 KMT2A (1.00) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL29576857 0.87 MEN1 (1.00) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL692792 0.87 MEN1 (1.00) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL29444225 0.83 ELANE (0.83) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL271965 0.83 ELANE (0.83) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL11812017 0.82 MAPT (0.76) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL29370698 0.79 KMT2A (0.74) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL914109 0.79 C1R (0.74) KMT2AMEN1ELANEMAPTL3MBTL1
SCHEMBL692758 0.79 KMT2A (0.74) KMT2AMEN1ELANEMAPTL3MBTL1

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 4 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

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 KMT2A 2584/4885MEN1 1609/4885ELANE 353/4885

“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.