SCHEMBL437082

SCHEMBL437082

COC(=O)c1ccc(CN2Cc3c(cc(C)c(C)c3Br)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK10 P53779 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL436167 0.88 MEN1 (0.42) MEN1KMT2AGAAALDH1A1MAPK10
SCHEMBL448440 0.84 MEN1 (0.44) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL451834 0.79 MEN1 (0.53) MEN1KMT2ARAB9AALDH1A1MAPK10
SCHEMBL446536 0.76 MEN1 (0.56) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL10145490 0.75 MEN1 (0.44) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL447466 0.74 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK10SMN1; SMN2
SCHEMBL1417419 0.70 KMT2A (0.53) MEN1KMT2AGAAALDH1A1CA1
SCHEMBL1418461 0.70 KMT2A (0.53) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL2066203 0.69 MEN1 (0.58) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL32686543 0.69 PARK7 (0.51) MEN1KMT2AGAAPOLBTP53

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 2 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
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

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 2227/4885RAB9A 133/4885

“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.