SCHEMBL780340

SCHEMBL780340

CCn1cc(N)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 6/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL782124 0.85 L3MBTL1 (0.41) GPR35CA12CA1CA9CA2
SCHEMBL783152 0.82 TYR (0.41) CA12CA1CA9CA2KDM4E
SCHEMBL874860 0.81 GPR35 (0.38) GPR35CA12CA1CA9CA2
SCHEMBL369006 0.80 NR4A2 (0.42) CA12CA1CA9CA2KDM4E
SCHEMBL1417324 0.79 LMNA (0.46) CA12CA1CA9CA2KDM4E
SCHEMBL2495583 0.78 GPR35 (0.39) GPR35CA12CA1CA9CA2
SCHEMBL7052816 0.78 MAOA (0.36) GPR35CA12CA1CA9CA2
SCHEMBL5889466 0.78 HTT (0.39) KDM4EHSD17B10TDP1MAPK1MEN1
SCHEMBL20787471 0.76 NR3C2 (0.35) CA12CA1CA9CA2KDM4E
SCHEMBL29190982 0.76 GPR35 (0.37) GPR35CA12CA1CA9CA2

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-20120071628-A1 TOPICAL THERAPEUTIC AGENT FOR OPHTHALMIC DISEASES COMPRISING COMPOUND CAPABLE OF BINDING SPECIFICALLY TO DNA SEQUENCE NIHON UNIVERSITY (JP) 2012-03-22 US disclosed
WO-2012007409-A1 N-SUBSTITUTED PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20110046070-A1 GENE EXPRESSION INHIBITOR SELECTIVE FOR MATRIX METALLOPROTEINASE-9 GENE NIHON UNIVERSITY (JP) 2011-02-24 US disclosed
US-7888516-B2 transforming growth factor (TGF- beta ) gene expression inhibitors comprising a pyrrole-imidazole polyamides, used as a therapeutic agent for diseases associated with the production of TGF- beta; drugs; side effect reduction NIHON UNIVERSITY (JP) 2011-02-15 US disclosed
EP-2266583-A1 GENE EXPRESSION INHIBITOR SELECTIVE FOR MATRIX METALLOPROTEINASE-9 GENE Nihon University (JP) 2010-12-29 EP disclosed
US-7807844-B2 TGF-β gene expression inhibitor NIHON UNIVERSITY (JP) 2010-10-05 US disclosed
US-20080255368-A1 Tgf-ß Gene Expression Inhibitor NIHON UNIVERSITY (JP) 2008-10-16 US disclosed
US-20080103187-A1 Tgf-Beta Gene Expression Inhibitor GENTIER BIOSYSTEMS, INC. (JP) 2008-05-01 US disclosed
EP-1779850-A1 TGF- GENE EXPRESSION INHIBITOR Nihon University (JP) 2007-05-02 EP disclosed
CN-1845733-A TGF-beta gene expression inhibitors UNIV NIHON (JP) 2006-10-11 CN disclosed
US-7067622-B2 Method of the solid phase synthesis of pyrrole-imidazole polyamide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-06-27 US disclosed
US-20040171799-A1 Method of the solid phase synhesis of pyrrole-imidazole polyamide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-09-02 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-20040171799-A1 Method of the solid phase synhesis of pyrrole-imidazole polyamide PCNA, POLH, PNISR GPR35 4300/4885CA12 854/4885CA1 1474/4885
US-20120071628-A1 TOPICAL THERAPEUTIC AGENT FOR OPHTHALMIC DISEASES COMPRISING COMPOUND CAPABLE OF BINDING SPECIFICALLY TO DNA SEQUENCE POLH, POLB, POLK GPR35 2829/4885CA12 2036/4885CA1 3771/4885
US-20080255368-A1 Tgf-ß Gene Expression Inhibitor GABRP, GABRB2, GABRB1 GPR35 2511/4885CA12 4475/4885CA1 3863/4885
US-20110046070-A1 GENE EXPRESSION INHIBITOR SELECTIVE FOR MATRIX METALLOPROTEINASE-9 GENE GABRP, GABRD, MMP9 GPR35 3715/4885CA12 1051/4885CA1 424/4885
US-20080103187-A1 Tgf-Beta Gene Expression Inhibitor TGFBR1, TGFBR2, SMAD2 GPR35 3950/4885CA12 4599/4885CA1 4045/4885

“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.