SCHEMBL3319604

SCHEMBL3319604

CCCCCCCCCCCCCCCCCCCCOc1nn(CCCCCCCCCCCCCCCCCCCC)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
CNR1 P21554 1/20 0.51
ACHE P22303 1/20 0.51
KAT2B Q92831 1/20 0.50
FAAH O00519 3/20 0.47
MGLL Q99685 2/20 0.47
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
MPO P05164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 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
SCHEMBL3312575 1.00 CNR2 (0.51) CNR2CNR1ACHEKAT2BFAAH
SCHEMBL3316327 0.92 KAT2B (0.52) CNR2CNR1ACHEKAT2BPKM
SCHEMBL12443687 0.90 CNR2 (0.43) CNR2CNR1ACHEKAT2BFAAH
SCHEMBL12443253 0.90 CNR2 (0.43) CNR2CNR1ACHEKAT2BFAAH
SCHEMBL14070011 0.86 KAT2B (0.67) CNR2CNR1ACHEKAT2BFAAH
SCHEMBL10485351 0.85 PKM (0.55) KAT2BPKMMAPTMEN1KMT2A
SCHEMBL765094 0.82 KAT2B (0.46) CNR2CNR1ACHEKAT2BPKM
SCHEMBL765129 0.78 KAT2B (0.42) KAT2BPKMMAPTMEN1KMT2A
SCHEMBL12443701 0.77 KAT2B (0.39) CNR2CNR1ACHEKAT2BPKM
SCHEMBL10046478 0.75 CNR2 (0.41) CNR2CNR1ACHEMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278098-B2 Substituted phthalazines for inducing insulin secretion and protecting beta-cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-03-08 US disclosed
US-9278098-B2 Substituted phthalazines for inducing insulin secretion and protecting beta-cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-03-08 US disclosed
US-9278098-B2 Substituted phthalazines for inducing insulin secretion and protecting beta-cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-03-08 US disclosed
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-06-18 US disclosed
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-06-18 US disclosed
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-06-18 US disclosed
EP-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 EP disclosed
US-8871764-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-10-28 US disclosed
US-8871764-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-10-28 US disclosed
US-8871764-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-10-28 US disclosed
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-05-30 US disclosed
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-05-30 US disclosed
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-05-30 US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 US disclosed
EP-2132183-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE University Of Virginia Patent Foundation (US) 2009-12-16 EP disclosed
WO-2008108842-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-12 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-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA CNR2 4257/4885CNR1 4043/4885ACHE 252/4885
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA CNR2 4288/4885CNR1 4124/4885ACHE 252/4885
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA CNR2 4288/4885CNR1 4124/4885ACHE 252/4885

“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.