SCHEMBL2585772

SCHEMBL2585772

O=C(NC(Cc1ccccc1)Cc1ccccc1)c1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
PSMB5 P28074 1/20 0.37
RAB9A P51151 3/20 0.37
MME P08473 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL4264818 0.82 ALDH1A1 (0.48) TDP1KMT2AMEN1PKMALDH1A1
SCHEMBL2584833 0.81 NPC1 (0.44) TDP1KMT2AMEN1RECQLALDH1A1
SCHEMBL2582295 0.79 GAA (0.42) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL2587146 0.77 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL2588879 0.76 HSP90AA1 (0.42) TDP1KMT2AMEN1RECQLALDH1A1
SCHEMBL2586645 0.76 TP53 (0.52) TDP1KMT2AMEN1PKMALDH1A1
SCHEMBL5531260 0.74 ALDH1A1 (0.45) TDP1KMT2AMEN1PKMALDH1A1
SCHEMBL2404636 0.74 ATM (0.43) TDP1KMT2ARECQLALDH1A1LMNA
SCHEMBL5529321 0.72 OPRM1 (0.42) TDP1KMT2AMEN1RECQLPKM
SCHEMBL2588302 0.72 USP2 (0.41) TDP1KMT2AMEN1RECQLPKM

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 TDP1 3662/4885KMT2A 4073/4885MEN1 2795/4885

“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.