SCHEMBL1556919

SCHEMBL1556919

O=C1OCC(c2ccncc2)=C1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
PTGS1 P23219 2/20 0.48
GSTP1 P09211 1/20 0.48
F2 P00734 2/20 0.46
PRMT5 O14744 1/20 0.45
KCNH2 Q12809 1/20 0.44
GRIN2B Q13224 1/20 0.44
PTGS2 P35354 2/20 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
SCHEMBL1558316 0.86 PTGS1 (0.64) KMT2AMAOAMAOBPTGS1GSTP1
SCHEMBL7951909 0.81 CYP2D6 (0.60) KMT2APTGS1
SCHEMBL1419894 0.81 PDE10A (0.59)
SCHEMBL1957932 0.79 F2 (0.62) KMT2AMAOAMAOBPTGS1GSTP1
SCHEMBL9619055 0.79 LMNA (0.53) MAOAMAOBPTGS1GSTP1PTGS2
SCHEMBL1557809 0.77 PTGS2 (0.62) KMT2APTGS1PTGS2
SCHEMBL8770409 0.76 MAOB (0.52) KMT2AMAOAMAOBPTGS1
SCHEMBL2686651 0.75 MAOB (0.63) MAOAMAOBGSTP1
SCHEMBL298353 0.74 GSTP1 (0.44) KMT2AMAOBGSTP1F2PRMT5
SCHEMBL286490 0.74 GSTP1 (0.44) KMT2AMAOBGSTP1F2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 US disclosed
EP-2303863-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-04-06 EP disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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 (3 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-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A KMT2A 2855/4885MAOA 29/4885MAOB 36/4885
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A KMT2A 2855/4885MAOA 29/4885MAOB 36/4885
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ACHE, PDE7A, PDE5A KMT2A 2900/4885MAOA 27/4885MAOB 36/4885

“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.