SCHEMBL449455

SCHEMBL449455

Cc1c(Br)cccc1C(=O)NCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
NLRP3 Q96P20 1/20 0.52
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
ALOX5 P09917 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL447886 0.87 HTT (0.48) LMNAALDH1A1NLRP3HDAC3HDAC1
SCHEMBL13593280 0.86 NLRP3 (0.69) LMNAALDH1A1MAPK1NLRP3HDAC3
SCHEMBL30395239 0.83 NLRP3 (0.51) NLRP3HDAC3HDAC1ALOX5MEN1
SCHEMBL19897711 0.83 NLRP3 (0.51) NLRP3HDAC3HDAC1ALOX5MEN1
SCHEMBL19897775 0.82 HPGD (0.50) ALDH1A1NLRP3ALOX5MEN1KMT2A
SCHEMBL30394063 0.82 HPGD (0.50) ALDH1A1NLRP3ALOX5MEN1KMT2A
SCHEMBL450242 0.82 PPARG (0.59) LMNAALDH1A1MAPK1HDAC3HDAC1
SCHEMBL5657164 0.81 ALOX5 (0.59) LMNAALDH1A1MAPK1HDAC3ALOX5
SCHEMBL13293977 0.80 HPGD (0.69) ALDH1A1MAPK1HDAC3CYP1A2CYP2C9
SCHEMBL10658522 0.80 HPGD (0.69) ALDH1A1MAPK1HDAC3CYP1A2CYP2C9

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 LMNA 3263/4885ALDH1A1 2138/4885MAPK1 1246/4885

“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.