SCHEMBL5454198

SCHEMBL5454198

COc1ccc(CN(C)CCn2c(N)nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 2/20 0.56
▸ CSF1R P07333 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ MLNR O43193 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ GHSR Q92847 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL5465812 0.88 POLB (0.58) POLBCXCR4HTTTLR8CXCL8
SCHEMBL5457932 0.86 KMT2A (0.56) POLBCXCR4HTTLMNATLR8
SCHEMBL5462900 0.83 POLB (0.50) POLBCXCR4HTTSMN1; SMN2TLR8
SCHEMBL2302207 0.80 HTT (0.71) CSF1RPOLBHTR3AALDH1A1HTT
SCHEMBL6930946 0.77 POLB (0.69) POLBCXCR4HTTTLR8CXCL8
Hydrochloric Acid SCHEMBL6934113 0.76 POLB (0.67) POLBCXCR4HTTTLR8CXCL8
SCHEMBL5460813 0.75 CXCR4 (0.60) POLBCXCR4HTTTLR8CXCL8
SCHEMBL14447546 0.74 CXCR4 (0.73) POLBCXCR4HTTTLR8CXCL8
SCHEMBL20774463 0.72 SMPD1 (1.00) SMPD1
SCHEMBL1982004 0.72 CXCR4 (0.73) POLBCXCR4HTTKDM4ETLR8

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 SMPD1 2072/4885CSF1R 1105/4885POLB 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.

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