SCHEMBL449968

SCHEMBL449968

COC(=O)CCCCCNC(=O)c1cccc(-c2ccccc2)c1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
LMNA P02545 1/20 0.50
PDCD1 Q15116 2/20 0.49
CD274 Q9NZQ7 2/20 0.49
PPARG P37231 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
DRD3 P35462 1/20 0.45
MAPK1 P28482 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ALOX15 P16050 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL450242 0.89 PPARG (0.59) HDAC3HDAC1LMNAPDCD1CD274
SCHEMBL447081 0.86 HDAC1 (0.60) HDAC3HDAC1
SCHEMBL437167 0.82 PDCD1 (0.49) PDCD1CD274MAPK1
SCHEMBL447886 0.81 HTT (0.48) HDAC3HDAC1LMNAALDH1A1HTT
SCHEMBL26282713 0.81 SMN1; SMN2 (0.62) HDAC3LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL449705 0.79 HDAC3 (0.82) HDAC3HDAC1
SCHEMBL451922 0.79 HDAC3 (0.48) HDAC3HDAC1ALDH1A1NR1H4HPGD
SCHEMBL15127579 0.78 NAAA (0.69) LMNAALDH1A1HTTSMN1; SMN2NR1H4
SCHEMBL27506120 0.78 HDAC3 (0.60) HDAC3HDAC1LMNAALDH1A1HTT
SCHEMBL11283490 0.78 HDAC1 (0.55) HDAC3HDAC1LMNAPPARGALDH1A1

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 HDAC3 638/4885HDAC1 761/4885LMNA 3263/4885

“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.