SCHEMBL1562499

SCHEMBL1562499

CC(C)C(=O)On1nnc2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 2/20 0.50
HPSE Q9Y251 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR139 Q6DWJ6 5/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL10098857 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL1561845 0.84 HPSE (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL5531874 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL6234424 0.83 HPSE (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL1562841 0.81 HPSE (0.60) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL17662398 0.81 HDAC3 (0.57) ALDH1A1SMN1; SMN2NPSR1HPGDTSHR
SCHEMBL18493192 0.81 HPSE (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL19649562 0.80 HPSE (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL5651138 0.80 HPSE (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL25734944 0.80 HPSE (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575391-B2 5-substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-11-05 US disclosed
EP-1780197-B9 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-04-06 EP disclosed
EP-1780197-B1 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-10-20 EP disclosed
US-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-7745663-B2 5-Substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-06-29 US disclosed
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
EP-1780197-A1 5-SUBSTITUTED-2-PHENYLAMINO-BENZAMIDE AS MEK INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-02 EP 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-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors BRAF, RAF1, NRAS ALDH1A1 680/4885SMN1; SMN2 2741/4885CYP1A2 942/4885
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors BRAF, RAF1, NRAS ALDH1A1 680/4885SMN1; SMN2 2741/4885CYP1A2 942/4885

“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.