SCHEMBL6092501

SCHEMBL6092501

CCC(C(=O)O)C1c2ccc(Br)cc2C(=O)N1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
FFAR1 O14842 3/20 0.36
MCL1 Q07820 2/20 0.35
DNMT1 P26358 1/20 0.34
CACNA1B Q00975 4/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L2 Q92843 1/20 0.34
CUL4A Q13619 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NTSR1 P30989 1/20 0.32

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
SCHEMBL6092194 0.87 KDM4E (0.37) KDM4EPOLBALOX15FFAR1CACNA1B
SCHEMBL6092919 0.86 MDM2 (0.39) KDM4EPOLBALOX15FFAR1MCL1
SCHEMBL6090274 0.84 KDM4E (0.35) KDM4EPOLBALOX15FFAR1MEN1
SCHEMBL6092633 0.84 DNMT1 (0.39) KDM4EPOLBALOX15FFAR1MCL1
SCHEMBL6090159 0.83 CACNA1B (0.38) KDM4EPOLBALOX15CACNA1B
SCHEMBL6094362 0.83 FFAR1 (0.44) FFAR1KMT2ATSHR
SCHEMBL6094330 0.81 FFAR1 (0.40) KDM4EPOLBALOX15FFAR1MCL1
SCHEMBL6092904 0.80 FFAR1 (0.36) KDM4EPOLBALOX15FFAR1CACNA1B
SCHEMBL4481397 0.77 KDM4E (0.45) KDM4EPOLBALOX15EDNRBEDNRA
SCHEMBL4473969 0.77 EDNRB (0.38) KDM4EPOLBALOX15EDNRBEDNRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 KDM4E 4143/4885POLB 1575/4885ALOX15 409/4885

“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.