SCHEMBL5461909

SCHEMBL5461909

NC(=O)CCn1c(N)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.66
NOD1 Q9Y239 3/20 0.65
POLB P06746 1/20 0.62
TLR8 Q9NR97 3/20 0.59
HTT P42858 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
KMT2A Q03164 4/20 0.50
CXCL8 P10145 2/20 0.50
LMNA P02545 2/20 0.50
TNF P01375 1/20 0.50
SOS1 Q07889 1/20 0.50
NOD2 Q9HC29 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 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
SCHEMBL6199065 0.83 CXCR4 (0.85) CXCR4NOD1POLBTLR8HTT
SCHEMBL6023576 0.82 KMT2A (0.56) NOD1KMT2A
SCHEMBL6023568 0.82 BACE1 (0.48) CXCR4NOD1POLBTLR8HTT
SCHEMBL6196399 0.80 CXCR4 (1.00) CXCR4NOD1POLBTLR8HTT
SCHEMBL7164854 0.80 CXCR4 (0.93) CXCR4NOD1POLBTLR8HTT
SCHEMBL6414034 0.80 TLR8 (0.63) NOD1POLBTLR8KMT2A
SCHEMBL6197634 0.78 CXCR4 (0.96) CXCR4NOD1POLBTLR8HTT
SCHEMBL13801517 0.78 CXCR4 (0.77) CXCR4NOD1POLBTLR8HTT
SCHEMBL14447553 0.78 CXCR4 (0.96) CXCR4NOD1POLBTLR8HTT
SCHEMBL15576016 0.78 CXCR4 (0.60) CXCR4NOD1POLBTLR8HTT

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 CXCR4 3445/4885NOD1 904/4885POLB 2088/4885

“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.