Sugi Predict

Sugi Predict / Compounds / SCHEMBL127769

SCHEMBL127769

SCHEMBL127769

COc1c(Br)ccc(Br)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.55
▸ CA4 P22748 3/20 0.55
▸ NQO2 P16083 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TUBB1 Q9H4B7 4/20 0.42
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 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
SCHEMBL772484 0.87 CA2 (0.50) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL4922559 0.87 CA2 (0.44) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL30171329 0.87 CA2 (0.50) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL7219358 0.85 KDM4E (0.50) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL6423974 0.85 CA2 (0.54) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL10209991 0.84 ALDH1A1 (0.45) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL3951547 0.84 CA2 (0.43) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL29290384 0.84 CA2 (0.43) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL3364910 0.84 CA2 (0.43) CA2CA4NQO2KDM4EALDH1A1
SCHEMBL10209739 0.84 CA2 (0.43) CA2CA4NQO2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388202-B2 Luminescent probes for biological labeling and imaging, method for preparing same CENTRE NATIONAL DE LA RECHRCHE SCIENTIFIQUE (FR) 2016-07-12 — — US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 — — US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 — — WO disclosed
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-09-02 — — US disclosed
US-7678914-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2010-03-16 — — US disclosed
WO-2009027679-A1 PROCESS FOR THE PREPARATION OF GUANIDINO SUBSTITUTED BI-AND POLYPHENYLS THAT ARE SUITABLE AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2009-03-05 — — WO disclosed
WO-2009027679-A1 PROCESS FOR THE PREPARATION OF GUANIDINO SUBSTITUTED BI-AND POLYPHENYLS THAT ARE SUITABLE AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2009-03-05 — — WO disclosed
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. 2008-11-20 — — US disclosed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 — — EP disclosed
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-02-07 — — US disclosed
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2007-08-16 — — US disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 — — WO 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 (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-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, TPH2, HTR5A CA2 2907/4885CA4 2817/4885NQO2 333/4885
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 CA2 3353/4885CA4 2294/4885NQO2 378/4885
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A CA2 3952/4885CA4 3160/4885NQO2 685/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA2 1626/4885CA4 667/4885NQO2 226/4885
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A CA2 3952/4885CA4 3160/4885NQO2 685/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A CA2 3952/4885CA4 3160/4885NQO2 685/4885

“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.