SCHEMBL5462014

SCHEMBL5462014

Nc1nc2cccc(Cl)c2n1CCCCNC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.49
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
TP53 P04637 3/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
DRD2 P14416 6/20 0.44
DRD4 P21917 4/20 0.44
PRMT5 O14744 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5472851 0.85 PRMT5 (0.48) TP53PRMT5TLR8
SCHEMBL5461561 0.85 ALDH1A1 (0.46) PRMT5ALDH1A1GAAHPGDTLR8
SCHEMBL5473917 0.80 PRMT5 (0.48) DRD3TP53DRD2PRMT5ALDH1A1
SCHEMBL5482661 0.77 CXCR3 (0.53) HTR1AHTR2ATP53DRD2PRMT5
SCHEMBL5141398 0.75 PRMT5 (0.56) TP53PRMT5POLBTLR8
SCHEMBL5463737 0.75 PRMT5 (0.47) TP53PRMT5KDM4EALDH1A1HPGD
SCHEMBL5453935 0.73 TLR8 (0.66) PRMT5POLBTLR8
SCHEMBL5456433 0.73 PRMT5 (0.56) TP53PRMT5KDM4EALDH1A1GAA
SCHEMBL5473914 0.72 PRMT5 (0.49) PRMT5ALDH1A1TLR8
SCHEMBL841852 0.72 TLR7 (0.46) TLR8

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-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 DRD3 4377/4885HTR1A 1953/4885HTR2A 2046/4885

“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.