SCHEMBL3949532

SCHEMBL3949532

COc1ccc(NC(=O)c2ccccc2OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.78
MEN1 O00255 4/20 0.78
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
MAPT P10636 4/20 0.76
TP53 P04637 2/20 0.76
MAPK1 P28482 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
ALDH1A1 P00352 3/20 0.71
KCNK3 O14649 1/20 0.69
KCNK9 Q9NPC2 1/20 0.69
METAP2 P50579 1/20 0.68
GAA P10253 2/20 0.67
PNLIP P16233 1/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.66

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
SCHEMBL2721612 0.89 MAPT (0.73) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2362772 0.88 KMT2A (0.82) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4437079 0.88 MAPT (0.69) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL27901571 0.88 KMT2A (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5390989 0.87 MAPT (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL30739719 0.87 MAPT (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4429130 0.87 MAPT (0.71) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL94630 0.86 MAPT (0.69) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4432153 0.86 MAPT (0.69) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL678394 0.86 MAPT (0.69) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655290-B1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field OREAL (FR) 2009-04-29 EP disclosed
US-7232839-B2 Benzoisothiazolone compositions L'OREAL (FR) 2007-06-19 US disclosed
US-20060142587-A1 Benzoisothiazolone compositions L'OREAL (FR) 2006-06-29 US disclosed
EP-1655290-A1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field L'OREAL (FR) 2006-05-10 EP disclosed
US-6897316-B2 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-05-24 US disclosed
US-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-02-10 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-20060142587-A1 Benzoisothiazolone compositions COL1A1, TYR, CUTA KMT2A 3462/4885MEN1 4601/4885NPC1 2766/4885
US-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHUK KMT2A 780/4885MEN1 3877/4885NPC1 1739/4885

“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.