SCHEMBL451834

SCHEMBL451834

COC(=O)c1ccc(CN2Cc3c(Br)cccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK10 P53779 1/20 0.43
DHPS P49366 1/20 0.43
MDM2 Q00987 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IDH1 O75874 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL438983 0.85 DHPS (0.49) MEN1KMT2ASMN1; SMN2DHPSHDAC1
SCHEMBL29506999 0.83 IDH1 (0.52) MEN1KMT2ADHPSIDH1POLB
SCHEMBL25337041 0.83 IDH1 (0.52) MEN1KMT2ADHPSIDH1POLB
SCHEMBL31667313 0.81 DHPS (0.49) MEN1KMT2AALDH1A1SMN1; SMN2DHPS
SCHEMBL437082 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPK10
SCHEMBL448440 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPK10
SCHEMBL452582 0.78 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL446536 0.77 MEN1 (0.56) MEN1KMT2AALDH1A1MAPK10SIRT1
SCHEMBL10145490 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HDAC1
SCHEMBL449230 0.72 HDAC6 (0.42) MEN1KMT2AALDH1A1SIRT1HDAC1

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 MEN1 1458/4885KMT2A 2227/4885ALDH1A1 2138/4885

“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.