Sugi Predict

Sugi Predict / Compounds / SCHEMBL5779162

SCHEMBL5779162

SCHEMBL5779162

N#Cc1ccccc1NC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ GAA P10253 5/20 0.49
▸ TSHR P16473 4/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL6300024 0.83 TSHR (0.44) KDM4EGAATSHRHSD17B10HPGD
SCHEMBL18085318 0.81 TSHR (0.43) KDM4EGAATSHRHSD17B10HPGD
SCHEMBL28746777 0.78 KDM4E (0.48) KDM4EGAATSHRHSD17B10HPGD
SCHEMBL11569448 0.78 KDM4E (0.48) KDM4EGAATSHRHSD17B10HPGD
SCHEMBL30527294 0.78 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL8763290 0.78 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL13611705 0.78 PABPC1 (0.51) TSHRALDH1A1SLC22A12
SCHEMBL30804597 0.77 KDM4E (0.55) KDM4EGAATSHRHSD17B10HPGD
SCHEMBL395135 0.77 KDM4E (0.55) KDM4EGAATSHRHSD17B10HPGD
SCHEMBL30804592 0.77 KDM4E (0.55) KDM4EGAATSHRHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO claimed
CN-108739830-A Bactericidal composition containing isotianil and its application 陕西标正作物科学有限公司 2018-11-06 — — CN disclosed
WO-2013024427-A1 NOVEL UREA DERIVATIVES AS TEC KINASE INHIBITORS AND USES THEREOF GLENMARK PHARMACEUTICALS S.A. (CH) 2013-02-21 — — WO disclosed
EP-1329451-B1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES (JP) 2006-08-23 — — EP disclosed
US-6919349-B2 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES, INC. (JP) 2005-07-19 — — US disclosed
US-6777412-B2 PYRIMIDIN-4-YLOXY)PHENYL)-3-METHOXYPROPENOATE DERIVATIVES SYNGENTA LIMITED (GB) 2004-08-17 — — US disclosed
US-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides CLOUGH JOHN MARTIN (GB) 2004-05-13 — — US disclosed
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES INC. (JP) 2004-05-06 — — US disclosed
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 — — US disclosed
US-20030060626-A1 Fungicides SYNGENTA LIMITED (GB) 2003-03-27 — — US disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 — — EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 — — US disclosed
EP-0468695-B1 Fungicides ZENECA LTD (GB) 1996-09-11 — — EP disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 — — EP disclosed
EP-0468695-A1 Fungicides ZENECA LIMITED (GB) 1992-01-29 — — EP 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 (4 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-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides DDT, SQOR, TH KDM4E 418/4885GAA 3262/4885TSHR 946/4885
US-20030060626-A1 Fungicides CYP51A1, CYP1A1, CYP1A2 KDM4E 335/4885GAA 1191/4885TSHR 2595/4885
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM KDM4E 2590/4885GAA 2094/4885TSHR 4842/4885
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient VCAM1, ICAM1, SELL KDM4E 4591/4885GAA 3106/4885TSHR 4309/4885

“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.