SCHEMBL4179970

SCHEMBL4179970

O=C(OCc1ccccc1)N1CCC(=Cc2ccc(O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GRM5 P41594 1/20 0.43
DHFR P00374 1/20 0.43
CYP2C19 P33261 1/20 0.42
STARD3 Q14849 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 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
SCHEMBL4188918 0.87 HDAC2 (0.50) HDAC2MEN1KMT2AMAPTALDH1A1
SCHEMBL4180010 0.83 HDAC2 (0.48) HDAC2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14040581 0.77 MEN1 (0.54) HDAC2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL23303315 0.77 HDAC2 (0.55) HDAC2MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL13739501 0.77 HDAC2 (0.55) HDAC2MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL13982008 0.75 HDAC2 (0.60) HDAC2MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL13927871 0.74 ALDH5A1 (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3821618 0.73 MAPT (0.56) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7311393 0.72 MEN1 (0.59) HDAC2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9218512 0.72 MEN1 (0.59) HDAC2MEN1KMT2ASMN1; SMN2HTT

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
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HDAC2 1297/4885MEN1 3474/4885KMT2A 4266/4885

“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.