SCHEMBL1658846

SCHEMBL1658846

CCCCOC(=O)c1nc(O)c2ccc(Oc3c(C)cccc3CC)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.43
EGLN2 Q96KS0 3/20 0.43
ESR1 P03372 6/20 0.40
THRB P10828 5/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
THRA P10827 2/20 0.35
BBOX1 O75936 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL1658692 0.94 EGLN1 (0.48) EGLN1EGLN2ESR1THRBMAPT
SCHEMBL1658836 0.91 EGLN1 (0.42) EGLN1EGLN2ESR1THRBGABRA1
SCHEMBL522807 0.90 EGLN2 (0.46) EGLN1EGLN2ESR1THRBMAPT
SCHEMBL1655996 0.88 EGLN2 (0.58) EGLN1EGLN2
SCHEMBL1656362 0.86 THRB (0.43) EGLN1EGLN2ESR1THRBATM
SCHEMBL15268977 0.85 EGLN1 (0.47) EGLN1EGLN2ESR1THRBSMN1; SMN2
SCHEMBL1657103 0.84 EGLN1 (0.47) EGLN1EGLN2ESR1THRBMAPT
SCHEMBL1656088 0.84 ESR1 (0.41) EGLN1EGLN2ESR1THRBSMN1; SMN2
SCHEMBL523264 0.83 EGLN1 (0.50) EGLN1EGLN2THRBTHRABBOX1
SCHEMBL522406 0.82 THRB (0.47) EGLN1EGLN2ESR1THRBMAPT

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 12 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
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 EGLN1 5/4885EGLN2 4/4885ESR1 1801/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 EGLN1 7/4885EGLN2 4/4885ESR1 2381/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 EGLN1 7/4885EGLN2 4/4885ESR1 2381/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 EGLN1 7/4885EGLN2 4/4885ESR1 2381/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 EGLN1 7/4885EGLN2 4/4885ESR1 2381/4885

“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.