SCHEMBL449231

SCHEMBL449231

COc1cc(C(=O)NCc2ccc(C(=O)O)c(C)c2)c(C)c(Br)c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.54
NR1H4 Q96RI1 2/20 0.51
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL438476 0.89 NR1H4 (0.58) APEX1NR1H4HPGDSMN1; SMN2LMNA
SCHEMBL436249 0.84 HPGD (0.51) APEX1NR1H4HPGDSMN1; SMN2LMNA
SCHEMBL30740970 0.77 LCK (0.56) HPGDSMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL437132 0.77 LCK (0.56) HPGDSMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL451070 0.76 HDAC1 (0.64)
SCHEMBL16127866 0.73 APEX1 (0.71) APEX1NR1H4HPGDALDH1A1KMT2A
SCHEMBL10397102 0.72 TUBB4A (0.56) APEX1SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL9198418 0.72 TUBB4A (0.56) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL16135579 0.72 ALDH1A1 (0.54) APEX1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL10397857 0.70 PPARG (0.58) HPGDSMN1; SMN2LMNAALDH1A1KMT2A

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 4 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
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP 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
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO 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 APEX1 241/4885NR1H4 2524/4885HPGD 313/4885

“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.