SCHEMBL783060

SCHEMBL783060

CC(=O)c1cnn(-c2ccccc2)c1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
NR4A3 Q92570 1/20 0.54
RIPK2 O43353 1/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC9A1 P19634 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PTGS2 P35354 1/20 0.48
PKM P14618 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL10998196 0.86 POLB (0.61) MAPK1NR4A3RIPK2POLBNPC1
SCHEMBL2544046 0.83 MAPK1 (1.00) MAPK1NPC1RAB9AL3MBTL1MAPT
SCHEMBL17324822 0.81 MAPK1 (0.69) MAPK1NR4A3RIPK2POLBNPC1
SCHEMBL24385178 0.81 RIPK2 (0.73) MAPK1NR4A3RIPK2POLBNPC1
SCHEMBL4034195 0.79 NR4A3 (0.80) MAPK1NR4A3RIPK2POLBNPC1
SCHEMBL798337 0.79 ALDH1A1 (0.73) MAPK1NR4A3NPC1RAB9ASMN1; SMN2
SCHEMBL12902785 0.78 MAPT (0.78) MAPK1NR4A3POLBMAPTSMN1; SMN2
SCHEMBL13593554 0.76 ALDH1A1 (0.63) MAPK1NR4A3POLBMAPK14MAPT
SCHEMBL17582618 0.76 MAPK1 (0.61) MAPK1NR4A3RIPK2POLBNPC1
SCHEMBL76980 0.75 NR4A3 (0.50) MAPK1NR4A3RIPK2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 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-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET MAPK1 2585/4885NR4A3 2287/4885RIPK2 4290/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET MAPK1 1915/4885NR4A3 2637/4885RIPK2 3882/4885

“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.