SCHEMBL10202728

SCHEMBL10202728

COc1cc(CC(=O)NC(=S)NC(C)C)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.65
▸ ALOX12 P18054 4/20 0.65
▸ KMT2A Q03164 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK10 P53779 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL10203656 0.85 KMT2A (0.61) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL2605820 0.85 KMT2A (0.56) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL17993523 0.80 ALDH1A1 (0.54) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL10744953 0.77 ALDH1A1 (0.56) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL13608100 0.76 MEN1 (0.58) ALDH1A1ALOX12KMT2AGAALMNA
SCHEMBL21101917 0.76 KDM4E (0.55) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL171970 0.75 KMT2A (0.59) ALDH1A1ALOX12KMT2ALMNACYP1A2
SCHEMBL5742233 0.75 KDM4E (0.60) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL4320604 0.75 KDM4E (0.60) ALDH1A1ALOX12KMT2AKDM4EGAA
SCHEMBL14817477 0.74 KDM4E (0.52) ALDH1A1ALOX12KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 — — US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 — — 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 (1 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-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885ALOX12 4236/4885KMT2A 2353/4885

“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.

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