SCHEMBL436277

SCHEMBL436277

COC(=O)CNC(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.53
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB2 P17787 1/20 0.50
SLC6A2 P23975 1/20 0.50
CHRNB4 P30926 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRND Q07001 1/20 0.50
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 5/20 0.47

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
SCHEMBL8947325 0.86 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL9435285 0.84 HPGD (0.49) KMT2ASMN1; SMN2CHRNA1CHRNGCHRNB1
SCHEMBL436283 0.84 PTPRC (0.52) KMT2ASMN1; SMN2KDM4ECHRNA1CHRNG
SCHEMBL22288580 0.82 MEN1 (0.52) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL9300437 0.82 HPGD (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL451696 0.81 LMNA (0.54) SMN1; SMN2MAPK1ALDH1A1NPC1RAB9A
SCHEMBL13753881 0.81 HPGD (0.51) KMT2ASMN1; SMN2MEN1CHRNA1CHRNG
SCHEMBL8947242 0.80 KMT2A (0.67) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL22289086 0.79 KMT2A (0.49) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL22289088 0.79 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2KDM4EMEN1TSHR

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 2227/4885SMN1; SMN2 3278/4885KDM4E 2116/4885

“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.