Sugi Predict

Sugi Predict / Compounds / SCHEMBL10196055

SCHEMBL10196055

SCHEMBL10196055

COc1cc(C)cc(Cl)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.70
▸ MAPT P10636 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3753027 0.85 ACHE (0.52) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL171116 0.83 ACHE (1.00) ACHEMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL11434747 0.79 ACHE (0.52) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL13256220 0.79 ACHE (0.46) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL19286921 0.79 ACHE (0.52) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL19954420 0.78 ACHE (0.52) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL20762901 0.77 ACHE (0.50) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL19243094 0.77 HTT (0.60) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL10196604 0.76 ACHE (0.76) ACHEMAPTL3MBTL1MAPK1CYP3A4
Trimethylammonium SCHEMBL22264980 0.76 ACHE (0.85) ACHEMAPTHPGDL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3932666-A Treatment of trees for prevention and cure of wilt diseases ENVIRONMENTAL TECHNOLOGY CORPORATION (US) 1976-01-13 — — US claimed
US-20170362221-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-21 — — US disclosed
US-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 — — US disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP disclosed
US-9447137-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2016-09-20 — — US disclosed
US-9272993-B2 Naphthoquinone derivatives useful for prevention of amyloid deposits and treatment of diseases involving amyloidogenesis RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2016-03-01 — — US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 — — US disclosed
US-20150259375-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2015-09-17 — — US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 — — US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 — — US disclosed
US-20140213627-A1 NAPHTHOQUINONE DERIVATIVES USEFUL FOR PREVENTION OF AMYLOID DEPOSITS AND TREATMENT OF DISEASES INVOLVING AMYLOIDOGENESIS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2014-07-31 — — US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 — — EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — WO disclosed
EP-0257828-B1 DIPROPARGYLOXYBENZENE COMPOUNDS AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-27 — — EP disclosed
US-4870064-A PHYTOPATHOGEN FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-26 — — US disclosed
US-3932666-A Treatment of trees for prevention and cure of wilt diseases ENVIRONMENTAL TECHNOLOGY CORPORATION (US) 1976-01-13 — — 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 (5 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885MAPT 4606/4885HPGD 1484/4885
US-20140213627-A1 NAPHTHOQUINONE DERIVATIVES USEFUL FOR PREVENTION OF AMYLOID DEPOSITS AND TREATMENT OF DISEASES INVOLVING AMYLOIDOGENESIS APP, PSEN1, PSEN2 ACHE 77/4885MAPT 14/4885HPGD 521/4885
US-20150259375-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS TYMP, GMNN, SAMHD1 ACHE 4443/4885MAPT 4003/4885HPGD 3048/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885MAPT 4606/4885HPGD 1484/4885
US-20170362221-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 GLS, GLS2, GLUL ACHE 4465/4885MAPT 4699/4885HPGD 891/4885

“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.