SCHEMBL2578639

SCHEMBL2578639

CC(=O)Nc1ccc(C(=O)N2CCc3onc(C(=O)NCC4CC4)c3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK14 Q16539 1/20 0.44
TSHR P16473 1/20 0.41
NAMPT P43490 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 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
SCHEMBL5528749 0.85 TSHR (0.42) HSP90AA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2587065 0.75 KDM4E (0.47) HSP90AA1SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL2582213 0.73 GAA (0.57) HSP90AA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2582142 0.72 HSP90AA1 (0.42) HSP90AA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6257293 0.71 MAPK14 (0.70) SMN1; SMN2ALDH1A1POLBMAPK14NAMPT
SCHEMBL2582339 0.71 HSP90AA1 (0.49) HSP90AA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2578771 0.69 HSP90AA1 (0.49) HSP90AA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15300430 0.68 SCD (0.45) HSP90AA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2579206 0.68 HSP90AA1 (0.52) HSP90AA1SMN1; SMN2MAPTTP53HDAC3
SCHEMBL2576088 0.67 HSP90AA1 (0.54) HSP90AA1ALDH1A1POLBLMNAHDAC3

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 5 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-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US 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
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US 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 HSP90AA1 3575/4885NPC1 1245/4885RAB9A 4445/4885

“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.