SCHEMBL5859945

SCHEMBL5859945

CNCCn1c(Cn2nnc3ccccc32)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.48
GRM2 Q14416 2/20 0.48
PTK2 Q05397 4/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 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 2/20 0.45
KCNMA1 Q12791 1/20 0.44
GAA P10253 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
SCHEMBL5861811 0.83 SLC9A1 (0.65) SLC9A1HPGDTSHRKMT2AGAA
SCHEMBL5859932 0.83 SLC9A1 (0.51) SLC9A1GRM2PTK2LMNAALDH1A1
SCHEMBL5859138 0.82 TSHR (0.65) SLC9A1GRM2LMNAALDH1A1TP53
SCHEMBL5858823 0.82 POLB (0.48) SLC9A1GRM2PTK2LMNAALDH1A1
SCHEMBL5858757 0.82 SLC9A1 (0.48) SLC9A1GRM2PTK2LMNAALDH1A1
Iodide SCHEMBL5861908 0.81 TSHR (0.47) SLC9A1GRM2PTK2LMNAALDH1A1
Hydrochloric Acid SCHEMBL5859906 0.81 POLB (0.47) SLC9A1GRM2LMNAALDH1A1TP53
Trimethylammonium SCHEMBL5861905 0.81 SLC9A1 (0.47) SLC9A1GRM2PTK2LMNAALDH1A1
SCHEMBL19257743 0.80 SLC9A1 (0.67) SLC9A1GRM2LMNAALDH1A1TSHR
SCHEMBL5859675 0.80 TSHR (0.52) SLC9A1GRM2PTK2LMNAALDH1A1

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 4 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

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 SLC9A1 3922/4885GRM2 4631/4885PTK2 4866/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L SLC9A1 3922/4885GRM2 4631/4885PTK2 4866/4885

“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.