Sugi Predict

Sugi Predict / Compounds / SCHEMBL584685

SCHEMBL584685

SCHEMBL584685

O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ KCNN4 O15554 2/20 0.36
▸ KCNA3 P22001 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NR1I2 O75469 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ ABCB11 O95342 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
SCHEMBL4022590 0.83 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL13389615 0.80 CYP11B1 (0.38) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL8921475 0.80 CYP11B1 (0.38) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL1757058 0.80 HCAR2 (0.40) CYP11B1CYP11B2KMT2AMEN1USP2
SCHEMBL1757057 0.80 HCAR2 (0.40) CYP11B1CYP11B2KMT2AMEN1USP2
SCHEMBL4023393 0.76 CYP11B1 (0.35) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL4022205 0.76 CYP11B1 (0.35) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL4022212 0.76 CYP11B1 (0.35) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL1528204 0.76 KMT2A (0.40) CYP11B1CYP11B2KCNN4KCNA3KMT2A
SCHEMBL1757025 0.75 TBXAS1 (0.38) CYP11B1CYP11B2KCNN4KCNA3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994283-A Beta-D-galactopyranose compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-11-22 — — CN disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 — — CN disclosed
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 — — US disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 — — US disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 — — CN disclosed
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 — — US disclosed
WO-2020260857-A1 HYDROXAMATE COMPOUNDS AS ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2020-12-30 — — WO disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 — — US disclosed
EP-0361317-B1 Pyridoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-04-05 — — EP disclosed
CN-1085546-A Aminediol protease inhibitors SQUIBB & SONS INC (US) 1994-04-20 — — CN disclosed
US-5290785-A Therapeutic agent for ischemic diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-01 — — US disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 — — EP disclosed
US-5173493-A For treatment or prevention of nausea or vomiting FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-12-22 — — US disclosed
US-5141945-A 5-Hydroxytryptamine antagonists, treatment or prevention of nausea and vomiting FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 — — US disclosed
EP-0451538-A2 Use of pyridoindole derivatives in the treatment of ischemic disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 — — EP disclosed
US-4950681-A USEFUL IN TREATMENT FOR PSYCHOTIC DISORDERS; 5-HYDROXYTRYPTAMINE ANTAGONIS GLAXO GROUP LIMITED (GB) 1990-08-21 — — US disclosed
EP-0361317-A2 Pyridoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-04 — — EP disclosed
EP-0307145-A1 Ketone Derivatives GLAXO GROUP LIMITED (GB) 1989-03-15 — — EP 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 (3 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-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CYP11B1 1661/4885CYP11B2 1495/4885KCNN4 4813/4885
US-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP11B1 4512/4885CYP11B2 4635/4885KCNN4 3421/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CYP11B1 1661/4885CYP11B2 1495/4885KCNN4 4813/4885

“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.