Sugi Predict

Sugi Predict / Compounds / SCHEMBL2453746

SCHEMBL2453746

SCHEMBL2453746

NC(=O)NCC=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.57
▸ PAM P19021 1/20 0.53
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ MMP1 P03956 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ HAO1 Q9UJM8 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ GRIK1 P39086 2/20 0.44
▸ GRIK2 Q13002 2/20 0.44

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
SCHEMBL27264799 0.86 MAOB (0.51) MAOBPAMHTTKMT2AMMP1
SCHEMBL7144203 0.86 MAOB (0.54) MAOBPAMHTTKMT2AMMP1
SCHEMBL1694508 0.85 MAOB (0.61) MAOBPAMKMT2AMMP1MMP2
SCHEMBL10619606 0.85 MAOB (0.61) MAOBPAMKMT2AMMP1MMP2
SCHEMBL1582564 0.85 MAOB (0.61) MAOBPAMKMT2AMMP1MMP2
SCHEMBL5152333 0.81 MAOB (0.57) MAOBPAMKMT2AMMP1MMP2
SCHEMBL8261373 0.81 MAOB (0.57) MAOBPAMKMT2AMMP1MMP2
SCHEMBL9439949 0.81 MAOB (0.57) MAOBPAMKMT2AMMP1MMP2
SCHEMBL6158948 0.81 MAOB (0.49) MAOBPAMHTTKDM4EIDO1
SCHEMBL6158944 0.81 MAOB (0.49) MAOBPAMHTTKDM4EIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108537-B Partial stream distillation 巴斯夫欧洲公司 2020-04-17 — — CN claimed
EP-3212627-B1 PART-STREAM DISTILLATION BASF SE (DE) 2019-09-25 — — EP claimed
US-10316007-B2 Part-stream distillation BASF SE (DE) 2019-06-11 — — US claimed
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates BASF SE (DE) 2019-03-12 — — US claimed
US-20180215694-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES BASF SE (DE) 2018-08-02 — — US claimed
CN-105358536-B partial stream distillation 巴斯夫欧洲公司 2018-02-09 — — CN claimed
CN-107108537-A Part stream distillation 巴斯夫欧洲公司 2017-08-29 — — CN claimed
US-9732054-B2 Part-stream distillation BASF SE (DE) 2017-08-15 — — US claimed
CN-106660919-A preparation of 2, 6-and 2, 7-disubstituted anthraquinone derivatives 巴斯夫欧洲公司 2017-05-10 — — CN claimed
CN-106660918-A preparation of 2, 6-and 2, 7-disubstituted anthraquinone derivatives 巴斯夫欧洲公司 2017-05-10 — — CN claimed
CN-105358536-A partial stream distillation BASF SE 2016-02-24 — — CN claimed
WO-2014177507-A1 PART-STREAM DISTILLATION BASF SE (DE) 2014-11-06 — — WO claimed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 — — EP claimed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 — — EP claimed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 — — US claimed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 — — US claimed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 — — EP claimed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 — — WO claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 — — US claimed
US-4025624-A Phenylalkylamines and phenylalkylureas in combinations to suppress gastric bleeding in aspirin therapy A. H. ROBINS COMPANY, INCORPORATED (US) 1977-05-24 — — 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 MAOB 2492/4885PAM 4423/4885HTT 4492/4885
US-20180215694-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES NQO1, CYP1B1, SDHA MAOB 387/4885PAM 567/4885HTT 3589/4885
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates NQO1, CYP1B1, SDHA MAOB 387/4885PAM 567/4885HTT 3589/4885
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MAOB 2613/4885PAM 4753/4885HTT 4217/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MAOB 2613/4885PAM 4753/4885HTT 4217/4885

“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.