SCHEMBL446536

SCHEMBL446536

COC(=O)c1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK8 P45983 1/20 0.45
HDAC1 Q13547 6/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC8 Q9BY41 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK10 P53779 1/20 0.43
HDAC7 Q8WUI4 1/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
CHKA P35790 1/20 0.41
HDAC4 P56524 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
SCHEMBL446687 0.85 SRD5A1 (0.49) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL1417419 0.84 KMT2A (0.53) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL29364860 0.83 PARK7 (0.47) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL12443620 0.83 PARK7 (0.47) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL2026192 0.81 MEN1 (0.45) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL31667651 0.81 ESR1 (0.46) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL3853977 0.79 MAPK1 (0.44) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL1500111 0.79 HDAC1 (0.49) MEN1KMT2AHDAC1HDAC6ALDH1A1
SCHEMBL2179104 0.78 AOC3 (0.45) KMT2AHDAC1HDAC6HDAC8HDAC7
SCHEMBL15528419 0.78 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC7HDAC4

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 2227/4885MAPK8 1768/4885

“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.