SCHEMBL5858823

SCHEMBL5858823

CN(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SLC9A1 P19634 7/20 0.48
GRM2 Q14416 2/20 0.48
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KCNMA1 Q12791 1/20 0.44
TOP2A P11388 1/20 0.43
PTK2 Q05397 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
Hydrochloric Acid SCHEMBL5859906 0.99 POLB (0.47) POLBSLC9A1GRM2GAAALDH1A1
SCHEMBL5858794 0.88 POLB (0.43) POLBGAAALDH1A1HPGDTSHR
SCHEMBL5859110 0.88 RAB9A (0.43) POLBSLC9A1GRM2GAAALDH1A1
SCHEMBL5859676 0.87 SLC9A1 (0.46) SLC9A1GRM2GAAALDH1A1LMNA
Trimethylammonium SCHEMBL5861905 0.86 SLC9A1 (0.47) SLC9A1GRM2GAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL5858758 0.85 TSHR (0.44) POLBSLC9A1GRM2GAAALDH1A1
SCHEMBL5861811 0.83 SLC9A1 (0.65) POLBSLC9A1GAAHPGDTSHR
SCHEMBL5859932 0.83 SLC9A1 (0.51) SLC9A1GRM2GAAALDH1A1LMNA
SCHEMBL5858757 0.82 SLC9A1 (0.48) SLC9A1GRM2GAAALDH1A1LMNA
SCHEMBL5859945 0.82 SLC9A1 (0.48) SLC9A1GRM2GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030140-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-6908936-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20050038085-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2005-02-17 US disclosed
US-20030139450-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2003-07-24 US disclosed
EP-1098644-A1 SUBSTITUTED BENZIMIDAZOLE ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2001-05-16 EP disclosed
WO-2000004900-A1 SUBSTITUTED BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-02-03 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 (2 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-20050038085-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L POLB 333/4885SLC9A1 3922/4885GRM2 4631/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L POLB 333/4885SLC9A1 3922/4885GRM2 4631/4885

“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.