SCHEMBL5452572

SCHEMBL5452572

CN(C(=O)Cn1c(N)nc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.50
CXCR4 P61073 1/20 0.49
TLR8 Q9NR97 3/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL5476584 0.82 TSPO (0.62) F2RCYP1A2CYP2D6HTTPOLB
SCHEMBL484344 0.75 F2R (0.57) F2RCYP1A2CYP2D6HTTPOLB
SCHEMBL5148368 0.75 CXCR3 (0.54) HTTLMNAMAPT
SCHEMBL17329330 0.73 MMP2 (0.67) F2RCYP1A2CYP2D6HTTPOLB
SCHEMBL15360160 0.73 THRB (0.58) HTTPOLBLMNA
SCHEMBL14470429 0.73 F2R (0.61) F2RCYP1A2CYP2D6HTTCXCR4
SCHEMBL20556851 0.72 F2R (0.54) F2RCYP1A2CYP2D6HTTPOLB
SCHEMBL5447984 0.72 POLB (0.58) F2RCYP1A2CYP2D6HTTPOLB
SCHEMBL5468418 0.72 POLB (0.55) F2RCYP1A2CYP2D6HTTPOLB
SCHEMBL15357756 0.70 LMNA (0.55) POLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101405000-A 2-imino-benzimidazoles ABBOTT LAB (US) 2009-04-08 CN disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO 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 F2R 2748/4885CYP1A2 9/4885CYP2D6 17/4885

“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.