SCHEMBL3605803

SCHEMBL3605803

NC(=O)c1cccc2c1-c1ccccc1-2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.75
NFE2L2 Q16236 1/20 0.75
BCAT2 O15382 1/20 0.55
PDK2 Q15119 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
METAP2 P50579 1/20 0.47
MYC P01106 1/20 0.46
GAA P10253 1/20 0.46
AURKA O14965 1/20 0.44
PARP1 P09874 1/20 0.44
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
GRK6 P43250 1/20 0.43

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
SCHEMBL7829487 0.86 KEAP1 (0.73) KEAP1NFE2L2BCAT2ALDH1A1MAPT
SCHEMBL4930390 0.86 KEAP1 (1.00) KEAP1NFE2L2BCAT2ALDH1A1MAPT
SCHEMBL41435 0.84 KEAP1 (0.64) KEAP1NFE2L2BCAT2PDK2ALDH1A1
SCHEMBL1512156 0.83 KEAP1 (0.65) KEAP1NFE2L2BCAT2PDK2ALDH1A1
SCHEMBL27925971 0.83 KEAP1 (0.59) KEAP1NFE2L2BCAT2PDK2ALDH1A1
SCHEMBL5866501 0.83 KEAP1 (0.69) KEAP1NFE2L2BCAT2PDK2ALDH1A1
SCHEMBL20695793 0.82 MAPT (0.53) KEAP1NFE2L2ALDH1A1MAPTLMNA
SCHEMBL31012518 0.81 BCAT2 (0.71) KEAP1NFE2L2BCAT2PDK2ALDH1A1
SCHEMBL1110181 0.81 BCAT2 (0.71) KEAP1NFE2L2BCAT2PDK2ALDH1A1
SCHEMBL17183653 0.80 KEAP1 (0.51) KEAP1NFE2L2BCAT2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4568733-A AIRCRAFT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1986-02-04 US claimed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO disclosed
EP-0470180-B1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS DOW CHEMICAL CO (US) 1997-03-05 EP disclosed
US-5143998-A HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1992-09-01 US disclosed
EP-0470180-A4 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS 1992-07-15 EP disclosed
US-5112907-A Polyphenylene Ether, Ethylene-A-Olefin Copolymer Rubber Grafted with Alkenyl Aromatic and Unsaturated Acid or Anhydride SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-12 US disclosed
US-5089588-A From bisphenol A diglycidyl ether and N,N'-bis/m-hydroxy phenyl)adipamide THE DOW CHEMICAL COMPANY (US) 1992-02-18 US disclosed
EP-0470180-A1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS. DOW CHEMICAL CO (US) 1992-02-12 EP disclosed
WO-1990012828-A1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1990-11-01 WO disclosed
US-4568733-A AIRCRAFT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1986-02-04 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 (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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 KEAP1 1077/4885NFE2L2 3386/4885BCAT2 3653/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 KEAP1 3152/4885NFE2L2 3125/4885BCAT2 772/4885

“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.