SCHEMBL436284

SCHEMBL436284

Cc1c(C(=O)NCC(=O)O)cccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
SUCNR1 Q9BXA5 1/20 0.51
EGLN1 Q9GZT9 4/20 0.48
KDM6B O15054 1/20 0.48
FTO Q9C0B1 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48
PDCD1 Q15116 3/20 0.46
CD274 Q9NZQ7 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 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
SCHEMBL437167 0.87 PDCD1 (0.49) KEAP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1649572 0.85 CHRNB2 (0.68) KEAP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30402499 0.83 SUCNR1 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3SUCNR1
SCHEMBL28254835 0.83 SUCNR1 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3SUCNR1
SCHEMBL8410787 0.81 NR1H4 (0.62) KEAP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL450242 0.81 PPARG (0.59) PDCD1CD274LMNAHTTPPARG
SCHEMBL29256186 0.81 HDAC7 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3SUCNR1
SCHEMBL27450922 0.80 KEAP1 (0.66) KEAP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11713322 0.78 KEAP1 (0.56) KEAP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15630971 0.78 KEAP1 (0.49) KEAP1EGLN1RAB9AALDH1A1

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 KEAP1 4243/4885CHRNB2 4752/4885CHRNA4 4638/4885

“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.