SCHEMBL3210973

SCHEMBL3210973

CCC(=O)c1ccc(Cl)c2[nH]c(=O)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
CRHR1 P34998 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DPP4 P27487 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KMT2A Q03164 3/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRA2A P08913 1/20 0.32
CLCN2 P51788 1/20 0.32
THRB P10828 1/20 0.31
P2RX7 Q99572 3/20 0.31
BRAF P15056 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3205341 0.82 KMT2A (0.39) RXFP1CSNK2A2CSNK2BCSNK2A1DPP4
SCHEMBL2084672 0.80 NR4A2 (0.43) RXFP1CSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL2084414 0.72 CRHR1 (0.40) RXFP1CRHR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL3197266 0.70 CRHR1 (0.47) CRHR1DPP4HSP90AB1KMT2ACYP3A4
SCHEMBL24611913 0.68 HSP90AB1 (0.42) HSP90AB1KMT2AHTTCYP3A4THRB
SCHEMBL13459581 0.67 POLB (0.36) RXFP1CRHR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL28385050 0.66 HSP90AB1 (0.46) HSP90AB1KMT2AMAPTHTTCYP3A4
SCHEMBL9720563 0.64 HSP90AB1 (0.44) CRHR1CSNK2A2CSNK2BCSNK2A1HSP90AB1
SCHEMBL24451116 0.64 HSP90AB1 (0.48) DPP4HSP90AB1KMT2ACYP3A4MEN1
SCHEMBL1260508 0.63 HSP90AB1 (0.47) DPP4HSP90AB1KMT2ACYP3A4MEN1

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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 RXFP1 56/4885CRHR1 4/4885CSNK2A2 637/4885

“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.