Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737413

SCHEMBL8737413

SCHEMBL8737413

Cc1ccc(C)c2c1nnn2C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CLK1 P49759 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10397738 0.84 HTT (0.42) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL12258194 0.81 LMNA (0.32) LMNATSHR
SCHEMBL6127947 0.81 ALDH1A1 (0.31) TSHR
SCHEMBL18323587 0.72 GRM2 (0.43) SLC9A1LMNANPC1CLK1DYRK1A
SCHEMBL31305903 0.70 TSHR (0.30) TSHR
SCHEMBL256210 0.70 SLC9A1 (0.50) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL12204474 0.67 — —
SCHEMBL20058628 0.67 SLC9A1 (0.33) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL18323605 0.67 POLB (0.35) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL24122034 0.64 CCR1 (0.43) —

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-2023210741-A1 BENZOTRIAZOLE COMPOUND 第一三共株式会社 2023-11-02 — — WO disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 — — US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 — — US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 — — US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 — — US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 — — US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 — — US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 — — US disclosed
US-8034420-B2 Benzotriazole compound-containing composition and light-emitting device using the composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-11 — — US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 — — US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100073603-A1 BENZOTRIAZOLE COMPOUND-CONTAINING COMPOSITION AND LIGHT-EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 — — 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 (11 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4735/4885KEAP1 2574/4885KDM4E 2892/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4667/4885KEAP1 2581/4885KDM4E 3006/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC9A1 4464/4885KEAP1 3055/4885KDM4E 3154/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4276/4885KEAP1 2882/4885KDM4E 2812/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC9A1 4464/4885KEAP1 3055/4885KDM4E 3154/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4786/4885KEAP1 2505/4885KDM4E 2715/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4667/4885KEAP1 2581/4885KDM4E 3006/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4793/4885KEAP1 2576/4885KDM4E 2379/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4806/4885KEAP1 2493/4885KDM4E 2521/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 SLC9A1 4620/4885KEAP1 2807/4885KDM4E 2731/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC9A1 4671/4885KEAP1 2581/4885KDM4E 3088/4885

“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.