Sugi Predict

Sugi Predict / Compounds / SCHEMBL1031249

SCHEMBL1031249

SCHEMBL1031249

COC(=O)c1c[c]ncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ KDM6B O15054 1/20 0.45
▸ KDM5C P41229 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45
▸ KDM3A Q9Y4C1 1/20 0.45
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA12 O43570 4/20 0.44
▸ CA7 P43166 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ CA14 Q9ULX7 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ XDH P47989 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
SCHEMBL971880 0.80 CA12 (0.49) ALDH1A1TSHRKDM4ECA1CA2
SCHEMBL4261813 0.78 — —
SCHEMBL1499143 0.77 HDAC8 (0.44) ALDH1A1TSHRCA2HTT
SCHEMBL3029286 0.75 HPGD (0.50) ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL1515244 0.73 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPK1L3MBTL1MAPT
Methyl Isonicotinate SCHEMBL820082 0.73 CYP1A2 (0.60) ALDH1A1TSHRKDM4EKDM6BKDM5C
Methyl Isonicotinate SCHEMBL180574 0.73 CYP1A2 (0.60) ALDH1A1TSHRKDM4EKDM6BKDM5C
Methyl Isonicotinate SCHEMBL9217491 0.71 LMNA (0.58) ALDH1A1TSHRKDM4EKDM6BKDM5C
Methyl Isonicotinate SCHEMBL29827431 0.71 LMNA (0.58) ALDH1A1TSHRKDM4EKDM6BKDM5C
Methyl Isonicotinate SCHEMBL9213497 0.71 LMNA (0.58) ALDH1A1TSHRKDM4EKDM6BKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 — — US claimed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 — — CN claimed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 — — EP claimed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 — — US claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 — — WO claimed
JP-2011506281-A — — 2011-03-03 — — JP claimed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 — — EP claimed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 — — US claimed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 — — US claimed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 — — WO claimed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 — — WO claimed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 — — US claimed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 — — US claimed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 — — US claimed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 — — US claimed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 — — US claimed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 — — EP claimed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 — — EP claimed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 — — 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 (9 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 ALDH1A1 1186/4885TSHR 1662/4885KDM4E 4327/4885
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 ALDH1A1 887/4885TSHR 985/4885KDM4E 705/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA ALDH1A1 4771/4885TSHR 3684/4885KDM4E 2674/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 ALDH1A1 1467/4885TSHR 1753/4885KDM4E 3658/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 ALDH1A1 4369/4885TSHR 3588/4885KDM4E 2174/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ALDH1A1 3230/4885TSHR 936/4885KDM4E 1159/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ALDH1A1 686/4885TSHR 1385/4885KDM4E 2115/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885TSHR 1385/4885KDM4E 2115/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS ALDH1A1 1178/4885TSHR 3357/4885KDM4E 2704/4885

“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.