SCHEMBL1365289

SCHEMBL1365289

COc1ccc2ccccc2c1-c1c(P(C2CCCCC2)C2CCCCC2)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NISCH Q9Y2I1 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NQO1 P15559 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL160594 0.87 ALDH1A1 (0.37) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL30391805 0.87 ALDH1A1 (0.37) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL17997307 0.87 MAPT (0.51) MAPTNISCHMEN1KMT2ARAB9A
SCHEMBL31566355 0.86 ALDH1A1 (0.38) MAPTALDH1A1
SCHEMBL164194 0.86 ALDH1A1 (0.38) MAPTALDH1A1
SCHEMBL16812628 0.84 GAA (0.46) MAPTMEN1KMT2AL3MBTL1
SCHEMBL16811762 0.82 CYP1A2 (0.39) MAPTRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL21331819 0.82 MAPT (0.51) MAPTNISCHMEN1KMT2ARAB9A
SCHEMBL14732619 0.82 NPC1 (0.44) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL14722352 0.80 CNR1 (0.45) MAPTRAB9ASMN1; SMN2L3MBTL1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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 (4 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 MAPT 650/4885NISCH 80/4885MEN1 952/4885
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A MAPT 2286/4885NISCH 2771/4885MEN1 4113/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MAPT 4071/4885NISCH 3633/4885MEN1 3034/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MAPT 2271/4885NISCH 2817/4885MEN1 3908/4885

“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.