SCHEMBL447886

SCHEMBL447886

COC(=O)CCCCCNC(=O)c1cccc(Br)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
LMNA P02545 2/20 0.47
NLRP3 Q96P20 1/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC2 Q92769 2/20 0.43
NAAA Q02083 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL450258 0.88 HPGD (0.61) HTTHPGDHDAC1HDAC3LMNA
SCHEMBL449455 0.87 LMNA (0.56) HTTHPGDHDAC1HDAC3LMNA
SCHEMBL449968 0.81 HDAC3 (0.51) HTTHPGDHDAC1HDAC3LMNA
SCHEMBL19897711 0.81 NLRP3 (0.51) HTTHPGDHDAC1HDAC3NLRP3
SCHEMBL30395239 0.81 NLRP3 (0.51) HTTHPGDHDAC1HDAC3NLRP3
SCHEMBL26282713 0.81 SMN1; SMN2 (0.62) HTTHPGDHDAC3LMNAALDH1A1
SCHEMBL436252 0.81 KMT2A (0.44) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL19897775 0.80 HPGD (0.50) HTTHPGDNLRP3ALOX5ALDH1A1
SCHEMBL30394063 0.80 HPGD (0.50) HTTHPGDNLRP3ALOX5ALDH1A1
SCHEMBL15127579 0.79 NAAA (0.69) HTTHPGDLMNAALOX5ALDH1A1

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 HTT 1112/4885HPGD 313/4885HDAC1 761/4885

“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.