SCHEMBL436283

SCHEMBL436283

Cc1cc(C(=O)NCC(=O)O)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.52
CTSL P07711 1/20 0.52
PTPN13 Q12923 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPT P10636 1/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPK1 P28482 1/20 0.50
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
SLC6A2 P23975 1/20 0.49
CHRNB4 P30926 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL9435285 0.87 HPGD (0.49) PTPRCCTSLPTPN13HPGDALDH1A1
SCHEMBL14054114 0.86 CA1 (0.54) HPGDALDH1A1CA1CA2MAPK1
SCHEMBL30506282 0.85 NR1H4 (0.62) PTPRCCTSLPTPN13KDM4EMAPT
SCHEMBL7824602 0.85 NR1H4 (0.62) PTPRCCTSLPTPN13KDM4EMAPT
SCHEMBL436277 0.84 KMT2A (0.55) PTPRCKDM4EMAPTHPGDALDH1A1
SCHEMBL13753881 0.83 HPGD (0.51) MAPTHPGDALDH1A1CHRNA1CHRNG
SCHEMBL6337602 0.82 CA1 (0.55) PTPRCCTSLPTPN13KDM4EMAPT
SCHEMBL9435241 0.81 HPGD (0.55) KDM4EHPGDALDH1A1CA1CA2
SCHEMBL901725 0.81 HPGD (0.52) HPGDALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL15631001 0.81 KDM4E (0.51) PTPRCCTSLPTPN13KDM4EMAPT

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 PTPRC 1949/4885CTSL 2923/4885PTPN13 3110/4885

“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.