Sugi Predict

Sugi Predict / Compounds / SCHEMBL2124661

SCHEMBL2124661

SCHEMBL2124661

FC(F)(F)c1cccc(C[Zn]Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.56
▸ IDO1 P14902 2/20 0.55
▸ HTR2A P28223 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ ACP3 P15309 1/20 0.51
▸ MAOB P27338 4/20 0.50
▸ MIF P14174 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ GRIN2B Q13224 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL3602084 0.80 TAAR1 (0.56) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL29824490 0.79 TAAR1 (0.60) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL121048 0.79 TAAR1 (0.60) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL5103155 0.79 TAAR1 (0.64) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL3237564 0.79 TAAR1 (0.64) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL27915514 0.78 IDO1 (0.68) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL5490932 0.78 TAAR1 (0.55) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL23927281 0.78 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C
Ammonia Solution, Strong SCHEMBL11220774 0.78 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL2906486 0.78 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024072768-A1 SUBSTITUTED FLUOROPYRIDINE AS HERBICIDES FMC CORPORATION (US) 2024-04-04 — — WO disclosed
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 — — US disclosed
EP-3152188-B1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2019-02-13 — — EP disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 — — US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 — — US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 — — US disclosed
EP-3152188-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2017-04-12 — — EP disclosed
WO-2015188152-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2015-12-10 — — WO disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 — — EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 — — US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 — — EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 — — US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 — — EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 — — US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 — — WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 — — 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-10407382-B2 EP4 agonists as therapeutic compounds PTGER4, PTGER1, PTGER3 TAAR1 327/4885IDO1 3896/4885HTR2A 454/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 TAAR1 699/4885IDO1 171/4885HTR2A 908/4885
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 TAAR1 308/4885IDO1 3897/4885HTR2A 482/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 TAAR1 1048/4885IDO1 116/4885HTR2A 144/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 TAAR1 4122/4885IDO1 165/4885HTR2A 2764/4885
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 TAAR1 308/4885IDO1 3897/4885HTR2A 482/4885

“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.