SCHEMBL915069

SCHEMBL915069

Cc1c(-c2nc3ccccc3c(=O)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK3 P07288 1/20 0.73
C1R P00736 9/20 0.66
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
MAPT P10636 3/20 0.66
F2 P00734 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.59
ELANE P08246 2/20 0.59
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PLG P00747 1/20 0.48
KLK1 P06870 1/20 0.48
PRSS1 P07477 1/20 0.48
C1S P09871 1/20 0.48
ATM Q13315 1/20 0.48
APEX1 P27695 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL914534 0.86 C1R (0.66) KLK3C1RKMT2AMEN1MAPT
SCHEMBL914109 0.84 C1R (0.74) KLK3C1RKMT2AMEN1MAPT
SCHEMBL7174683 0.81 C1R (0.73) KLK3C1RKMT2AMEN1MAPT
SCHEMBL10924688 0.80 C1R (1.00) KLK3C1RKMT2AMEN1MAPT
SCHEMBL913330 0.79 KMT2A (0.81) KLK3C1RKMT2AMEN1MAPT
SCHEMBL915802 0.79 KMT2A (0.65) KLK3C1RKMT2AMEN1MAPT
SCHEMBL692758 0.77 KMT2A (0.74) KLK3C1RKMT2AMEN1MAPT
SCHEMBL29370698 0.77 KMT2A (0.74) KLK3C1RKMT2AMEN1MAPT
SCHEMBL914003 0.76 KMT2A (1.00) KLK3C1RKMT2AMEN1MAPT
SCHEMBL915000 0.76 APEX1 (0.73) KLK3C1RKMT2AMEN1MAPT

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 KLK3 1498/4885C1R 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.