SCHEMBL5861856

SCHEMBL5861856

CC(C)=CCn1c(Cn2nnc3ccccc32)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ALDH1A2 O94788 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
ALDH1A3 P47895 1/20 0.53
SLC9A1 P19634 4/20 0.47
GRM2 Q14416 2/20 0.47
KCNMA1 Q12791 1/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.42
PTK2 Q05397 1/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2084121 0.80 LMNA (0.62) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
SCHEMBL5858830 0.78 GRM2 (0.69) ALDH1A1ALDH2ALDH3A1SLC9A1GRM2
SCHEMBL5861811 0.77 SLC9A1 (0.65) SLC9A1HPGDTSHRKMT2AGAA
SCHEMBL5859932 0.76 SLC9A1 (0.51) ALDH1A1SLC9A1GRM2KCNMA1LMNA
SCHEMBL5858757 0.76 SLC9A1 (0.48) ALDH1A1SLC9A1GRM2KCNMA1LMNA
SCHEMBL5859138 0.76 TSHR (0.65) ALDH1A1SLC9A1GRM2LMNATP53
SCHEMBL5859945 0.76 SLC9A1 (0.48) ALDH1A1SLC9A1GRM2KCNMA1LMNA
SCHEMBL5858823 0.76 POLB (0.48) ALDH1A1SLC9A1GRM2KCNMA1LMNA
SCHEMBL5859703 0.76 KDM4E (0.49) ALDH1A1LMNAKMT2AGAA
Hydrochloric Acid SCHEMBL5859906 0.75 POLB (0.47) ALDH1A1SLC9A1GRM2LMNATP53

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 ALDH1A1 1674/4885ALDH1A2 3485/4885ALDH2 710/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L ALDH1A1 1674/4885ALDH1A2 3485/4885ALDH2 710/4885

“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.