SCHEMBL437169

SCHEMBL437169

COC(=O)CNC(=O)c1ccc(-c2ccccc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.54
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
PTPRC P08575 4/20 0.49
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCHR1 Q99705 1/20 0.46
CTSL P07711 1/20 0.46
PTPN13 Q12923 1/20 0.46
HPGD P15428 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 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
SCHEMBL31725067 0.88 PTPRC (0.65) ALDH1A1MAPK1ROCK2ROCK1PTPRC
SCHEMBL438531 0.87 PTPRC (0.59) ALDH1A1MAPK1ROCK2ROCK1PTPRC
SCHEMBL452604 0.83 POLB (0.51) MAPK1MAPTRAB9ADRD2DRD3
SCHEMBL30572132 0.81 PTPRC (0.69) ALDH1A1MAPK1PTPRCMAPTRAB9A
SCHEMBL5632141 0.81 RAB9A (0.67) MAPK1MAPTRAB9AKDM4EGAA
SCHEMBL8947325 0.81 SMN1; SMN2 (0.57) ALDH1A1MAPK1MAPTRAB9AKDM4E
SCHEMBL26568778 0.80 MAPK1 (0.80) ALDH1A1MAPK1MAPTRAB9AKDM4E
SCHEMBL26563166 0.79 KDM4E (0.49) ALDH1A1MAPK1RAB9AKDM4EGAA
SCHEMBL3748237 0.78 EGFR (0.63) ALDH1A1ROCK2ROCK1MAPTRAB9A
SCHEMBL3961994 0.77 GAA (0.59) ALDH1A1MAPK1MAPTRAB9AKDM4E

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-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL ALDH1A1 2138/4885MAPK1 1246/4885ROCK2 323/4885

“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.