SCHEMBL5858830

SCHEMBL5858830

c1ccc(Cn2c(Cn3nnc4ccccc43)nc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.69
SLC9A1 P19634 1/20 0.69
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
PTK2 Q05397 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55

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
SCHEMBL5859689 0.87 GRM2 (0.52) GRM2SLC9A1MEN1KMT2ALMNA
SCHEMBL2734889 0.83 GRM2 (1.00) GRM2SLC9A1ALDH1A1PTK2TDP1
SCHEMBL5859932 0.82 SLC9A1 (0.51) GRM2SLC9A1KMT2ALMNAALDH1A1
SCHEMBL228889 0.80 LMNA (0.90) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL229324 0.80 MEN1 (0.78) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL5861811 0.80 SLC9A1 (0.65) SLC9A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5858836 0.79 ALDH1A1 (0.49) GRM2SLC9A1KMT2ALMNAALDH1A1
SCHEMBL5858809 0.79 GAA (0.67) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5858823 0.79 POLB (0.48) GRM2SLC9A1KMT2ALMNAALDH1A1
SCHEMBL5859138 0.79 TSHR (0.65) GRM2SLC9A1MEN1KMT2ALMNA

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 GRM2 4631/4885SLC9A1 3922/4885MEN1 4803/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L GRM2 4631/4885SLC9A1 3922/4885MEN1 4803/4885

“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.