SCHEMBL1656236

SCHEMBL1656236

CCCCOC(=O)c1nc(Br)c2cccc(S(=O)(=O)c3ccccc3)c2c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ESR1 P03372 3/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 3/20 0.36
MAPK1 P28482 3/20 0.36
ABCB1 P08183 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 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
SCHEMBL1656036 0.86 KAT6A (0.37) TSHRL3MBTL1TDP1CCNE2CCNE1
SCHEMBL524082 0.83 L3MBTL1 (0.43) TSHRL3MBTL1TDP1ESR1ATM
SCHEMBL1656235 0.81 ESR1 (0.40) TSHRL3MBTL1TDP1ESR1ATM
SCHEMBL523596 0.80 TSHR (0.50) TSHRL3MBTL1TDP1ESR1ATM
SCHEMBL524668 0.78 ABCB1 (0.46) TSHRL3MBTL1TDP1ESR1POLB
SCHEMBL522999 0.76 SCN1A (0.42) TSHRL3MBTL1TDP1ESR1ATM
SCHEMBL27941879 0.73 TSHR (0.45) TSHRL3MBTL1TDP1ATMPOLB
SCHEMBL27994025 0.72 ESR1 (0.45) TSHRL3MBTL1TDP1ESR1ATM
SCHEMBL523352 0.72 L3MBTL1 (0.44) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL522751 0.71 EGLN1 (0.61)

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 10 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
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 US 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 TSHR 3728/4885L3MBTL1 3805/4885TDP1 4029/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 TSHR 3818/4885L3MBTL1 2975/4885TDP1 4201/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 TSHR 3818/4885L3MBTL1 2975/4885TDP1 4201/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 TSHR 3818/4885L3MBTL1 2975/4885TDP1 4201/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 TSHR 3818/4885L3MBTL1 2975/4885TDP1 4201/4885

“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.