SCHEMBL450258

SCHEMBL450258

COC(=O)CCCCCNC(=O)c1ccccc1Br

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
NLRP3 Q96P20 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
LMNA P02545 2/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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 0.88 HTT (0.48) HPGDHTTNLRP3HDAC3HDAC1
SCHEMBL9489845 0.87 NLRP3 (0.77) HPGDHTTNLRP3HDAC3HDAC1
SCHEMBL9492146 0.87 NLRP3 (0.77) HPGDHTTNLRP3HDAC3HDAC1
SCHEMBL15038314 0.85 NLRP3 (0.79) HPGDHTTNLRP3HDAC3HDAC1
SCHEMBL27506120 0.84 HDAC3 (0.60) HTTHDAC3HDAC1LMNAALDH1A1
SCHEMBL26282713 0.84 SMN1; SMN2 (0.62) HPGDHTTHDAC3LMNAALDH1A1
SCHEMBL15127579 0.84 NAAA (0.69) HPGDHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL13593280 0.84 NLRP3 (0.69) HPGDHTTNLRP3HDAC3HDAC1
SCHEMBL3962346 0.83 LMNA (0.53) HPGDHTTHDAC3HDAC1LMNA
SCHEMBL28604774 0.82 NAAA (0.70) HPGDHTTNLRP3HDAC3HDAC1

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 HPGD 313/4885HTT 1112/4885NLRP3 171/4885

“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.