SCHEMBL6500557

SCHEMBL6500557

CC(C)CCC(c1nc2cc(C(=N)NO)ccc2[nH]1)n1nnc2cc(C(=N)NO)ccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.33
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL6498866 0.93 HCAR3 (0.33) HCAR3HPGDHCAR2SCN10AMMP1
SCHEMBL6268953 0.88 HCAR3 (0.40) HCAR3HPGDHCAR2SCN10A
SCHEMBL6490467 0.81 F10 (0.39) SCN10A
SCHEMBL6500489 0.81 SCN10A (0.34) SCN10AMMP1MMP3MMP7TAAR1
SCHEMBL6244968 0.78 SCN10A (0.35) HCAR3HPGDHCAR2SCN10ATAAR1
SCHEMBL6499078 0.73 HDAC6 (0.36) MMP1MMP3MMP7
SCHEMBL6243588 0.71 SCN10A (0.37) SCN10A
SCHEMBL6217633 0.70 KDM4E (0.36) MMP3MMP7
SCHEMBL6264978 0.68 F10 (0.40) SCN10A
SCHEMBL7406903 0.68 HDAC6 (0.44) MMP1MMP3MMP7TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 HCAR3 3592/4885HPGD 4310/4885HCAR2 3569/4885

“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.