SCHEMBL915918

SCHEMBL915918

COc1cc2nc(-c3ccc(NC(C)=O)cc3)oc(=O)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
EGFR P00533 1/20 0.55
KDR P35968 1/20 0.55
ALDH1A1 P00352 6/20 0.53
CTSG P08311 4/20 0.53
KLK7 P49862 4/20 0.53
KLK14 Q9P0G3 4/20 0.53
KLK5 Q9Y337 4/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
CTRC Q99895 2/20 0.53
PTK2B Q14289 1/20 0.53
MAPK10 P53779 1/20 0.53
POLB P06746 3/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52

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
SCHEMBL22952908 0.86 KLK7 (0.67) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL12927381 0.83 MEN1 (0.66) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL17554019 0.81 KLK7 (0.72) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL915062 0.81 KMT2A (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL914160 0.80 KLK7 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8499615 0.80 KMT2A (0.70) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL914043 0.79 HSD17B10 (0.63) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL914308 0.77 KMT2A (0.65) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL914010 0.76 KDM4E (0.58) NPC1KMT2AMEN1ALDH1A1CTSG
SCHEMBL17297264 0.74 ALDH1A1 (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1

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 11 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 claimed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US claimed
CN-1802160-A Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2006-07-12 CN claimed
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 claimed
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 claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
CN-100518740-C Pharmaceutical use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2009-07-29 CN disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
CN-1802160-A Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2006-07-12 CN 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 NPC1 4151/4885RAB9A 3514/4885KMT2A 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.