SCHEMBL1423716

SCHEMBL1423716

O=[N+]([O-])c1cccc(-c2ccncc2)c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ATM Q13315 1/20 0.58
CYP11B1 P15538 4/20 0.53
CYP11B2 P19099 4/20 0.53
PTGES O14684 4/20 0.53
CYP19A1 P11511 3/20 0.53
GSTP1 P09211 2/20 0.47
AR P10275 1/20 0.47
F2 P00734 2/20 0.43
AURKA O14965 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PRMT5 O14744 1/20 0.42
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL1423453 0.82 PDE10A (0.58)
SCHEMBL1423718 0.80 IKBKE (0.49) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL1423445 0.80 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1423595 0.80 F2 (0.50) MEN1KMT2ANPC1RAB9ACYP11B1
SCHEMBL1423567 0.79 CA1 (0.46) MEN1KMT2ANPC1RAB9AAURKA
SCHEMBL1423506 0.78 MGAM (0.53) CYP11B1CYP11B2CYP19A1GSTP1F2
SCHEMBL1423607 0.78 HTR1A (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1423767 0.77 GHSR (0.48) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL1957932 0.75 F2 (0.62) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL9444834 0.74 TDP1 (0.71) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2011-09-15 US disclosed
EP-2297131-A2 DI-SUBSTITUTED PHENYL COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009158467-A2 DI-SUBSTITUTED PHENYL 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 (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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS PDE10A, PDE1A, PDE12 MEN1 4177/4885KMT2A 2228/4885NPC1 2142/4885

“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.