SCHEMBL8738494

SCHEMBL8738494

OCCOCCN(CCOCCO)c1ccc(-c2ccc3ccccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 6/20 0.46
CYP3A4 P08684 3/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL15249331 0.94 NPC1 (0.45) ARNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8739602 0.86 AR (0.58) ARNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL15249330 0.80 AR (0.51) ARNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL61467 0.76 NPC1 (0.56) ARNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11807152 0.75 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8738496 0.74 NPC1 (0.50) ARNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18216986 0.73 MEN1 (0.42) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL12970039 0.73 MEN1 (0.42) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL12112870 0.72 RAB9A (0.80) ARNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4972628 0.72 ALDH1A1 (0.39) KDM4EALDH1A1MEN1KMT2AMAPT

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-9040021-B2 Heterocyclic compounds as imaging probes of tau pathology GE HEALTHCARE LIMITED (GB) 2015-05-26 US disclosed
US-9040021-B2 Heterocyclic compounds as imaging probes of tau pathology GE HEALTHCARE LIMITED (GB) 2015-05-26 US disclosed
US-20130236395-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2013-09-12 US disclosed
US-20130236395-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2013-09-12 US disclosed
WO-2012067863-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2012-05-24 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-20130236395-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY MAPT, PSEN1, PSEN2 AR 3587/4885NPC1 127/4885RAB9A 1703/4885

“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.