SCHEMBL915856

SCHEMBL915856

O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
MAPT P10636 6/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ELANE P08246 2/20 0.65
F2 P00734 3/20 0.62
C1R P00736 2/20 0.62
KLK3 P07288 1/20 0.56
HSPD1 P10809 2/20 0.54
PTPN2 P17706 2/20 0.54
PTPN1 P18031 2/20 0.54
PTPN5 P54829 2/20 0.54
HSPE1 P61604 2/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL915014 0.87 MEN1 (0.54) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL29370698 0.86 KMT2A (0.74) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL692758 0.86 KMT2A (0.74) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL914314 0.85 KMT2A (0.82) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL11815920 0.83 ELANE (0.67) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL914003 0.83 KMT2A (1.00) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL913598 0.81 ALDH1A1 (0.51) KMT2AMEN1MAPTELANENPC1
SCHEMBL5834596 0.80 PTPN2 (0.63) KMT2AMEN1MAPTL3MBTL1HSPD1
SCHEMBL692792 0.79 MEN1 (1.00) KMT2AMEN1MAPTL3MBTL1ELANE
SCHEMBL29576857 0.79 MEN1 (1.00) KMT2AMEN1MAPTL3MBTL1ELANE

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 1609/4885MAPT 2054/4885

“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.