Sugi Predict

Sugi Predict / Compounds / SCHEMBL503314

SCHEMBL503314

SCHEMBL503314

O=C=Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.50
▸ ADRA2B P18089 2/20 0.50
▸ ADRA2C P18825 2/20 0.50
▸ PLAU P00749 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HK1 P19367 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL6902852 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL1783888 0.77 CYP3A4 (0.43) MAPK1TDP1
SCHEMBL30520078 0.77 CYP3A4 (0.43) MAPK1TDP1
SCHEMBL6730549 0.76 — —
SCHEMBL26607992 0.75 GRM5 (0.31) —
SCHEMBL3068807 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL7913558 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAUL3MBTL1
Hydrochloric Acid SCHEMBL11711350 0.74 ADRA2A (0.57) ADRA2AADRA2BADRA2CPLAUL3MBTL1
Water SCHEMBL28029101 0.73 ADRA2A (0.48) ADRA2AADRA2BADRA2CPLAUKDM4E
Hydrochloric Acid SCHEMBL8350353 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CPLAUKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
CN-113214138-A Phenylpropionic acid derivative, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2021-08-06 — — CN disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 — — EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 — — US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 — — US disclosed
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 — — US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 — — US disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 — — WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 — — US disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 — — WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US disclosed
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 — — US disclosed
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 — — EP disclosed
EP-0033231-B1 INSECTICIDAL COMPOSITIONS CONTAINING 2,6-DIHALOBENZOYLUREA DERIVATIVES ELI LILLY AND COMPANY (US) 1984-06-13 — — EP disclosed
US-4338321-A FOR INCLUSION IN CATTLE OR POULTRY FEEDS ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
EP-0033231-A1 Insecticidal compositions containing 2,6-dihalobenzoylurea derivatives ELI LILLY AND COMPANY (US) 1981-08-05 — — EP disclosed
US-4281003-A 1-(2-6-Dihalobenzoyl)-3-(5-substituted-2-pyridinyl)urea insecticides and insecticidal method ELI LILLY AND COMPANY (US) 1981-07-28 — — 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 (8 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R ADRA2A 60/4885ADRA2B 44/4885ADRA2C 37/4885
US-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 ADRA2A 711/4885ADRA2B 344/4885ADRA2C 742/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R ADRA2A 60/4885ADRA2B 44/4885ADRA2C 37/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885

“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.