Sugi Predict

Sugi Predict / Compounds / SCHEMBL543372

SCHEMBL543372

SCHEMBL543372

O=[C]Nc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ FABP5 Q01469 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ MCOLN3 Q8TDD5 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL4233550 0.94 FABP3 (0.42) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL11431768 0.84 FABP4 (0.39) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL1984007 0.80 MEN1 (0.43) FABP3FABP4FABP5ALDH1A1MEN1
SCHEMBL3244144 0.78 SMN1; SMN2 (0.43) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL9310587 0.78 FABP3 (0.43) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL11463688 0.78 L3MBTL1 (0.37) ALDH1A1HPGDLMNACA12CA2
SCHEMBL30149120 0.75 FABP3 (0.47) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL2437912 0.74 FABP3 (0.67) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL29574036 0.74 FABP3 (0.67) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL11459897 0.74 HSPA5 (0.35) LMNACA12CA2CA9MAPT

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 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 — — US claimed
JP-4685861-B2 — — 2011-05-18 — — JP claimed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 — — US claimed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 — — US claimed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 — — US claimed
EP-1629842-B1 Topical application of thiazolyl amides AICURIS GMBH & CO KG (DE) 2010-04-14 — — EP claimed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 — — EP claimed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 — — US claimed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 — — EP claimed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 — — US claimed
US-6500817-B1 HERPES SIMPLEX BAYER AKTIENGESELLSCHAFT (DE) 2002-12-31 — — US claimed
JP-2002539119-A — — 2002-11-19 — — JP claimed
EP-1244641-A1 THIAZOLYL AMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2002-10-02 — — EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
EP-1161423-A1 THIAZOLYL UREA DERIVATIVES AND THEIR UTILIZATION AS ANTIVIRAL AGENTS Bayer Aktiengesellschaft (DE) 2001-12-12 — — EP claimed
WO-2001047904-A1 THIAZOLYL AMIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 — — WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO claimed
WO-2000053591-A1 THIAZOLYL UREA DERIVATIVES AND THEIR UTILIZATION AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-09-14 — — WO claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 — — US claimed

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-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands MMP8, MMP1, TIMP3 FABP3 1092/4885FABP4 2366/4885FABP5 1652/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 FABP3 2561/4885FABP4 4070/4885FABP5 2523/4885
US-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A FABP3 3284/4885FABP4 3495/4885FABP5 2986/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 FABP3 2561/4885FABP4 4070/4885FABP5 2523/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C FABP3 3961/4885FABP4 3967/4885FABP5 3081/4885

“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.