SCHEMBL1640545

SCHEMBL1640545

COc1ccc(N)cc1N(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.56
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.48
CYP19A1 P11511 5/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NR4A1 P22736 1/20 0.46
NQO2 P16083 2/20 0.42
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30828566 0.83 MAPT (0.52) APPALDH1A1KDM4EUSP2CYP19A1
SCHEMBL224141 0.83 MAPT (0.52) APPALDH1A1KDM4EUSP2CYP19A1
Hydrochloric Acid SCHEMBL30828603 0.82 MAPT (0.50) APPALDH1A1KDM4EUSP2CYP19A1
SCHEMBL6605467 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2CYP19A1MAPT
SCHEMBL21672910 0.80 ALDH1A1 (0.42) APPALDH1A1KDM4EUSP2CYP19A1
SCHEMBL19381538 0.80 GAA (0.41) APPALDH1A1KDM4EUSP2CYP19A1
SCHEMBL1413112 0.79 GAA (0.51) APPALDH1A1KDM4EUSP2CYP19A1
SCHEMBL15928734 0.79 KDM4E (0.56) APPALDH1A1KDM4EUSP2MAPT
SCHEMBL18147051 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EUSP2CYP19A1MAPT
SCHEMBL7402548 0.78 MAPT (0.44) APPALDH1A1KDM4EUSP2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed
US-9187717-B2 Carboxylate dyes MILLIKEN & COMPANY (US) 2015-11-17 US disclosed
US-20150099869-A1 Carboxylate Dyes MILLIKEN & COMPANY 2015-04-09 US disclosed
EP-2828340-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES The Procter & Gamble Company (US) 2015-01-28 EP disclosed
EP-2828339-A1 CARBOXYLATE DYES Milliken & Company (US) 2015-01-28 EP disclosed
WO-2014118092-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-PHENYLENEDIAMINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed
WO-2013142495-A1 CARBOXYLATE DYES MILLIKEN & COMPANY (US) 2013-09-26 WO disclosed
WO-2013142486-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES THE PROCTER & GAMBLE COMPANY (US) 2013-09-26 WO disclosed
EP-2406234-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-01-18 EP disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2010104899-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-09-16 WO disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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 (2 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 APP 4325/4885ALDH1A1 3014/4885KDM4E 1783/4885
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors STK24, MAP3K5, MAP3K2 APP 4239/4885ALDH1A1 2613/4885KDM4E 1987/4885

“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.