SCHEMBL1655971

SCHEMBL1655971

CCOC(=O)CN1C(=O)c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.58
LPAR3 Q9UBY5 1/20 0.58
PTPN1 P18031 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
PIN1 Q13526 1/20 0.52
PIN4 Q9Y237 1/20 0.52
PPARG P37231 2/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
AMY1A P0DUB6 1/20 0.47

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
SCHEMBL1657024 0.85 LPAR3 (0.63) LPAR1LPAR3TDP1PIN1PIN4
SCHEMBL1657226 0.84 LPAR3 (0.59) LPAR1LPAR3TDP1PIN1PIN4
SCHEMBL6307959 0.83 PIN1 (0.54) LPAR1LPAR3PTPN1TDP1PIN1
SCHEMBL523104 0.82 LPAR3 (0.62) LPAR1LPAR3TDP1PIN1PIN4
SCHEMBL31667726 0.78 POLB (0.50) LPAR1LPAR3TDP1KMT2APOLB
SCHEMBL521864 0.78 LPAR3 (0.66) LPAR1LPAR3TDP1KMT2APOLB
SCHEMBL27446438 0.77 PPARG (0.52) PTPN1PPARGKMT2APOLBMEN1
SCHEMBL1655676 0.77 LPAR3 (0.45) LPAR1LPAR3PTPN1TDP1PIN1
SCHEMBL523639 0.76 PIN1 (0.68) PIN1PIN4KMT2AMEN1ALDH1A1
SCHEMBL11453331 0.76 ALDH1A1 (0.77) PIN1PIN4KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2016-01-14 US disclosed
US-9174976-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2015-11-03 US disclosed
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2015-01-29 US disclosed
US-8759373-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2014-06-24 US disclosed
EP-2476669-A1 Cyanoisoquinoline compounds and methods of use thereof Fibrogen, Inc. (US) 2012-07-18 EP disclosed
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2012-07-12 US disclosed
EP-2044028-B1 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN INC (US) 2012-05-16 EP disclosed
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof FIBROGEN, INC. 2011-09-01 US disclosed
US-7928120-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2011-04-19 US disclosed
WO-2009081843-A1 METHOD FOR PRODUCING 1,1,3,4-BUTANETETRACARBOXYLIC ACID ESTER KURARAY CO., LTD. (JP) 2009-07-02 WO disclosed
EP-2044028-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2009-04-08 EP disclosed
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 US disclosed
WO-2007090068-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2007-08-09 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 (5 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-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3708/4885LPAR3 3272/4885PTPN1 4828/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PTPN1 4530/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PTPN1 4530/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PTPN1 4530/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PTPN1 4530/4885

“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.