Sugi Predict

Sugi Predict / Compounds / SCHEMBL207534

SCHEMBL207534

SCHEMBL207534

Brc1ccc2c[c][nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.48
▸ METAP2 P50579 3/20 0.45
▸ NOS1 P29475 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ CYP2A6 P11509 3/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33

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
SCHEMBL207737 0.84 CYP2A6 (0.50) AHRMETAP2NOS1DYRK1ACYP2A6
SCHEMBL20481932 0.73 MEN1 (0.45) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL207188 0.73 CYP1A2 (0.46) CYP2A6ALDH1A1KDM4EMAPTKMT2A
SCHEMBL207104 0.73 AHR (0.48) AHRMETAP2CYP2A6ALDH1A1KDM4E
SCHEMBL6959510 0.73 TYR (0.48) MEN1KMT2ALMNACYP1A2ABL1
SCHEMBL209939 0.71 METAP2 (0.48) AHRMETAP2DYRK1ACYP2A6JAK2
SCHEMBL4276796 0.68 IMPDH2 (0.44) METAP2NOS1CYP2A6ALDH1A1MEN1
SCHEMBL6354139 0.68 GAA (0.43) CYP2A6CSNK2A1ROCK1
SCHEMBL6958720 0.68 EIF4A3 (0.45) DYRK1AALDH1A1KDM4EMEN1MAPT
SCHEMBL6959490 0.68 APP (0.45) ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170954-A Phenalenone compounds and application thereof 大连理工大学 2020-05-19 — — CN claimed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 — — US claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 — — EP claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 — — US claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 — — US claimed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP claimed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 — — EP claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 — — US claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 — — US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 — — US claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 — — EP claimed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 — — 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 (6 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-20050020645-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885METAP2 4459/4885NOS1 151/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885METAP2 4459/4885NOS1 151/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 AHR 202/4885METAP2 956/4885NOS1 7/4885
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA AHR 2394/4885METAP2 571/4885NOS1 837/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA AHR 2394/4885METAP2 571/4885NOS1 837/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 AHR 1893/4885METAP2 3907/4885NOS1 287/4885

“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.