SCHEMBL4259707

SCHEMBL4259707

C=CCOc1ccc(CNCc2ccco2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ATM Q13315 1/20 0.49
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
BCHE P06276 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
FFAR1 O14842 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL1279329 0.81 MEN1 (0.60) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL4274937 0.81 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3425734 0.79 BCHE (0.71) MEN1KMT2AATMALDH1A1BCHE
SCHEMBL1279081 0.79 HPGD (0.61) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL17080774 0.78 MEN1 (0.64) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL3423616 0.77 HPGD (0.58) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL8497081 0.77 MEN1 (0.62) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL3427145 0.76 HPGD (0.57) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL4259705 0.75 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL11014192 0.73 MEN1 (0.71) MEN1KMT2AATMPOLBALDH1A1

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
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

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 MEN1 2795/4885KMT2A 4073/4885ATM 3463/4885

“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.