Sugi Predict

Sugi Predict / Compounds / SCHEMBL455046

SCHEMBL455046

SCHEMBL455046

COc1ccc(NNC(N)=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ PTGS2 P35354 3/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ P2RX7 Q99572 1/20 0.49
▸ MAPT P10636 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL667827 0.83 CA2 (0.67) GAAALDH1A1CA2CA5AHPGD
SCHEMBL10516397 0.81 PRSS1 (0.52) GAAALDH1A1PTGS2CA2P2RX7
SCHEMBL4028705 0.81 PTGS2 (0.60) GAAALDH1A1PTGS2CA2P2RX7
SCHEMBL526026 0.80 ALDH1A1 (0.70) GAAALDH1A1HPGDMAPTCYP1A2
SCHEMBL28151171 0.79 MAPT (0.63) GAAALDH1A1MAPTGLAL3MBTL1
SCHEMBL20711657 0.78 PTGS2 (0.57) GAAALDH1A1PTGS2CA2P2RX7
SCHEMBL28151169 0.78 MAPT (0.54) GAAALDH1A1HPGDMAPTCYP1A2
SCHEMBL1520890 0.78 GAA (0.61) GAAALDH1A1PTGS2CA2CA5A
SCHEMBL28916359 0.77 CA2 (0.60) GAAALDH1A1CA2CA5AHPGD
SCHEMBL851498 0.76 RAB9A (0.70) GAAALDH1A1PTGS2CA2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 — — CN claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 — — CN disclosed
CN-106854213-B Lavo-ofloxacin aldehyde contracting 4- arylamino thiourea derivatives and its preparation method and application 郑州工业应用技术学院 2018-11-23 — — CN disclosed
CN-106854213-A Lavo-ofloxacin aldehyde 4 arylamino thiourea derivatives of contracting and its preparation method and application 郑州工业应用技术学院 2017-06-16 — — CN disclosed
CN-103664823-B Arylamine replaces 1,2,3,4 thiatriazole derivatives, Preparation Method And The Use 华东理工大学 2017-05-31 — — CN disclosed
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
EP-1857446-B1 Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer NIPPON KAYAKU KK (JP) 2013-05-01 — — EP disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 — — EP disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 — — US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 — — WO disclosed
EP-0157259-A1 3-Mercapto-1,2,4-triazacycloalcadiene derivatives CIBA-GEIGY AG (CH) 1985-10-09 — — EP disclosed
US-4268680-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-05-19 — — US disclosed
US-4244964-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-13 — — US disclosed
US-4232034-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-11-04 — — US disclosed
US-4229460-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 — — US disclosed
US-4229581-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 — — US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 — — 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GAA 836/4885ALDH1A1 873/4885PTGS2 2321/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GAA 836/4885ALDH1A1 873/4885PTGS2 2321/4885
US-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 GAA 4120/4885ALDH1A1 1748/4885PTGS2 2680/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GAA 836/4885ALDH1A1 873/4885PTGS2 2321/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 GAA 836/4885ALDH1A1 873/4885PTGS2 2321/4885

“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.