SCHEMBL2580863

SCHEMBL2580863

O=C(c1ccco1)N1CCc2oncc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
MAPT P10636 3/20 0.55
MDM2 Q00987 1/20 0.55
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
PKM P14618 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ESR1 P03372 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL31530569 0.78 ALDH1A1 (0.66) ALDH1A1MAPTMDM2TSHRLMNA
SCHEMBL20424296 0.76 MEN1 (0.35) ALDH1A1MAPTTSHRTP53LMNA
SCHEMBL14970401 0.75 NOTUM (0.50) MAPTTSHRLMNAMAPK1MEN1
SCHEMBL19722806 0.75 SYK (0.35) ALDH1A1MAPTTSHRLMNANPSR1
SCHEMBL4274149 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMDM2TSHRTP53
SCHEMBL2584773 0.74 HPGD (0.51) ALDH1A1LMNAHTTHPGDL3MBTL1
SCHEMBL31530558 0.73 NAMPT (0.61) ALDH1A1MAPTMDM2TSHRTP53
SCHEMBL2586680 0.72 HPGD (0.51) ALDH1A1MAPTTSHRLMNAMAPK1
SCHEMBL2582145 0.72 GRM5 (0.50) ALDH1A1KMT2ANPC1NAMPTGRM5
SCHEMBL16026437 0.72 ALDH1A1 (0.83) ALDH1A1MAPTTSHRTP53LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1107/4885MAPT 3693/4885MDM2 2145/4885

“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.