SCHEMBL806013

SCHEMBL806013

C=Cc1cccc(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 2/20 0.41
XDH P47989 1/20 0.41
SCN9A Q15858 10/20 0.40
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
GSTP1 P09211 1/20 0.39
SCN4A P35499 2/20 0.38

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
SCHEMBL17261489 0.84 MEN1 (0.60) RAB9AMEN1KMT2ATSHR
SCHEMBL805934 0.84 SCN9A (0.58) SCN9A
SCHEMBL28342834 0.81 RAB9A (0.67) RAB9ANPC1MEN1KMT2AMCL1
SCHEMBL17083522 0.77 KDM4E (0.43) RAB9ANPC1MEN1KMT2ASCN9A
SCHEMBL805886 0.76 MAPT (0.64) RAB9ANPC1MEN1KMT2ALTA4H
SCHEMBL3134631 0.75 CCR1 (0.52) RAB9ANPC1MEN1KMT2AMCL1
SCHEMBL28907909 0.74 CCR1 (0.40) RAB9AMEN1KMT2ATSHR
SCHEMBL30064333 0.72 CCR1 (0.39) RAB9AMEN1KMT2ATSHR
SCHEMBL23110570 0.72 ALDH1A1 (0.36) RAB9AMEN1KMT2A
SCHEMBL13556427 0.72 SCN9A (0.46) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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 (2 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 RAB9A 1595/4885NPC1 1507/4885MEN1 1207/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 RAB9A 1595/4885NPC1 1507/4885MEN1 1207/4885

“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.