SCHEMBL4265115

SCHEMBL4265115

Cc1nn(-c2ccccc2)nc1C(=O)N1CCc2onc(C(=O)O)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 4/20 0.45
PKM P14618 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
KAT2B Q92831 1/20 0.45
HSP90AA1 P07900 5/20 0.43
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SCD5 Q86SK9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL15300384 0.86 MAPT (0.43) NPC1RAB9AKMT2ALMNAPKM
SCHEMBL2580833 0.82 ALDH1A1 (0.53) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL2579076 0.81 GAA (0.55) NPC1RAB9AKMT2ALMNATP53
SCHEMBL5530069 0.76 HDAC1 (0.42) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL3099503 0.75 LMNA (0.53) NPC1RAB9AKMT2ALMNAHSP90AA1
SCHEMBL4274149 0.73 ALDH1A1 (0.48) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL4263747 0.73 HSP90AA1 (0.52) NPC1RAB9AKMT2AMAPTTP53
SCHEMBL8240452 0.73 TSHR (0.49) NPC1RAB9ALMNAHSP90AA1TSHR
SCHEMBL4267349 0.72 HSP90AA1 (0.47) NPC1RAB9AMAPTTP53HSP90AA1
SCHEMBL316035 0.72 KDM4E (0.75) NPC1RAB9AKMT2ALMNAPKM

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
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 NPC1 1245/4885RAB9A 4445/4885KMT2A 4073/4885

“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.