SCHEMBL7038534

SCHEMBL7038534

OCCOc1cnc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HTT P42858 9/20 0.53
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDE10A Q9Y233 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL8831584 0.79 MEN1 (0.53) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL4824050 0.78 TGFBR1 (0.39) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL9191448 0.78 MAPT (0.61) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL28276329 0.77 ALDH1A1 (0.54) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL28276334 0.77 ALDH1A1 (0.54) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL28414054 0.77 MEN1 (0.51) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL29033050 0.77 ALDH1A1 (0.54) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL23229125 0.77 ALDH1A1 (0.64) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL9815623 0.76 HTT (0.66) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL11030583 0.76 HTT (0.77) MEN1KMT2AHTTALDH1A1KDM4E

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-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO 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-20030073862-A1 Compounds PPARG, PPARA, PPARD MEN1 4333/4885KMT2A 1939/4885HTT 1625/4885

“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.