SCHEMBL12059017

SCHEMBL12059017

CCc1ccc(S(=O)(=O)NCc2ccccn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
PRMT1 Q99873 1/20 0.70
ATM Q13315 2/20 0.64
MCL1 Q07820 1/20 0.62
GAA P10253 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60

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
SCHEMBL5345711 0.89 ALDH1A1 (0.68) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL9305676 0.85 PRMT1 (0.74) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL29530578 0.85 PRMT1 (0.74) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL1873887 0.85 PRMT1 (0.77) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL1169648 0.83 ALDH1A1 (1.00) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL15826010 0.82 PRMT1 (0.74) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL1169464 0.82 PRMT1 (0.74) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL15822958 0.82 PRMT1 (1.00) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL3925507 0.82 PRMT1 (0.74) ALDH1A1PRMT1ATMMCL1GAA
SCHEMBL29530569 0.82 PRMT1 (0.74) ALDH1A1PRMT1ATMMCL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357699-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2013-01-22 US disclosed
US-20110319390-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-8034943-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-20110183965-A1 6-AMINOISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
US-20100137364-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 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-20100137364-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ALDH1A1 2478/4885PRMT1 1383/4885ATM 183/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ALDH1A1 2478/4885PRMT1 1383/4885ATM 183/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ALDH1A1 2478/4885PRMT1 1383/4885ATM 183/4885
US-20110183965-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ALDH1A1 2478/4885PRMT1 1383/4885ATM 183/4885
US-20110319390-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ALDH1A1 2478/4885PRMT1 1383/4885ATM 183/4885

“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.