SCHEMBL436270

SCHEMBL436270

Cc1c(Br)cccc1C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
EGLN1 Q9GZT9 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NLRP3 Q96P20 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
FTO Q9C0B1 1/20 0.42
P2RX7 Q99572 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL436252 0.84 KMT2A (0.44) RAB9AKMT2AMEN1GAALMNA
SCHEMBL6427726 0.83 NLRP3 (0.58) KEAP1RAB9AKMT2AMEN1LMNA
SCHEMBL15630971 0.81 KEAP1 (0.49) KEAP1RAB9AKMT2AGAAEGLN1
SCHEMBL449455 0.80 LMNA (0.56) KMT2AMEN1LMNANLRP3HPGD
SCHEMBL18190399 0.80 P2RX7 (0.50) RAB9AKMT2AMEN1GAATDP1
SCHEMBL17699920 0.79 BTK (0.48) RAB9AKMT2AMEN1GAAEGLN1
SCHEMBL18729343 0.79 MAPT (0.47) RAB9AGAANLRP3P2RX7MAPT
SCHEMBL30395214 0.79 MAPT (0.47) RAB9AGAANLRP3P2RX7MAPT
SCHEMBL28610687 0.79 HDAC8 (0.48) RAB9AKMT2AMEN1GAALMNA
SCHEMBL436284 0.78 KEAP1 (0.57) KEAP1RAB9AEGLN1LMNAFTO

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 4243/4885RAB9A 133/4885KMT2A 2227/4885

“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.