SCHEMBL436252

SCHEMBL436252

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.43
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 1/20 0.43
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
F2R P25116 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
SCHEMBL436270 0.84 KEAP1 (0.49) KMT2AMEN1P2RX7GAAHPGD
SCHEMBL10635530 0.84 KMT2A (0.56) KMT2AKDM4EMEN1MAPK1GAA
SCHEMBL447886 0.81 HTT (0.48) HPGDHTTSMN1; SMN2MAPTLMNA
SCHEMBL21323506 0.81 GLA (0.49) KMT2AKDM4EMEN1MAPK1GLA
SCHEMBL437167 0.78 PDCD1 (0.49) KMT2AKDM4EMEN1MAPK1GAA
SCHEMBL13163159 0.78 HPGD (0.58) KMT2AMEN1MAPK1P2RX7HPGD
SCHEMBL18190399 0.77 P2RX7 (0.50) KMT2AKDM4EMEN1P2RX7GAA
SCHEMBL30395214 0.77 MAPT (0.47) P2RX7GAAHPGDHTTTSHR
SCHEMBL18729343 0.77 MAPT (0.47) P2RX7GAAHPGDHTTTSHR
SCHEMBL17699920 0.77 BTK (0.48) KMT2AMEN1P2RX7GAAHPGD

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 KMT2A 2227/4885KDM4E 2116/4885MEN1 1458/4885

“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.