SCHEMBL1660997

SCHEMBL1660997

CCCOc1ccc(Oc2ccc3c(c2)C(=O)N(C(C(=O)OCC)N2C(=O)c4ccc(Oc5ccc(OCCC)cc5)cc4C2=O)C3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ACACB O00763 5/20 0.45
TDP1 Q9NUW8 3/20 0.43
LTA4H P09960 1/20 0.43
POLB P06746 1/20 0.42
ACACA Q13085 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1657226 0.81 LPAR3 (0.59) LPAR1LPAR3MEN1KMT2AACACB
SCHEMBL860270 0.69 TDP1 (0.49) LPAR1LPAR3MEN1KMT2ATDP1
SCHEMBL1657024 0.68 LPAR3 (0.63) LPAR1LPAR3MEN1KMT2ATDP1
SCHEMBL12540869 0.68 POLB (0.53) LPAR1LPAR3MEN1KMT2ATDP1
SCHEMBL12997517 0.67 LTA4H (0.68) MEN1KMT2ATDP1LTA4HPOLB
SCHEMBL1655971 0.67 LPAR1 (0.58) LPAR1LPAR3MEN1KMT2ATDP1
SCHEMBL10068087 0.67 L3MBTL1 (0.49) MEN1KMT2ATDP1ALDH1A1
SCHEMBL523104 0.67 LPAR3 (0.62) LPAR1LPAR3MEN1KMT2ATDP1
SCHEMBL526001 0.67 KMT2A (0.65) LPAR1LPAR3MEN1KMT2ATDP1
SCHEMBL525473 0.67 POLB (0.44) TDP1POLBLMNA

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 11 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
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
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 3272/4885MEN1 1086/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885MEN1 3157/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885MEN1 3157/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885MEN1 3157/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885MEN1 3157/4885

“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.