SCHEMBL6500489

SCHEMBL6500489

CC(C)CCC(c1nc2cc(C(=N)NO)ccc2[nH]1)n1nc2ccc(C(=N)NO)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.34
MMP1 P03956 5/20 0.34
MMP3 P08254 5/20 0.34
MMP7 P09237 5/20 0.34
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
CYP1A2 P05177 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6264978 0.87 F10 (0.40) SCN10A
SCHEMBL6498866 0.82 HCAR3 (0.33) SCN10AMMP1MMP3MMP7
SCHEMBL6500557 0.81 HCAR3 (0.38) SCN10AMMP1MMP3MMP7TAAR1
SCHEMBL6245308 0.76 SCN10A (0.39) SCN10ATAAR1AAK1
SCHEMBL6499078 0.74 HDAC6 (0.36) MMP1MMP3MMP7ALDH1A1AAK1
Hydrochloric Acid SCHEMBL5858865 0.72 TAAR1 (0.56) MMP1MMP3MMP7ALDH1A1TAAR1
SCHEMBL6217633 0.70 KDM4E (0.36) MMP3MMP7ALDH1A1AAK1HDAC6
SCHEMBL6490467 0.69 F10 (0.39) SCN10A
SCHEMBL4399656 0.69 HSP90AA1 (0.45) ALDH1A1NPC1RAB9AHDAC6
SCHEMBL6268953 0.68 HCAR3 (0.40) SCN10A

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 SCN10A 4810/4885MMP1 3734/4885MMP3 2012/4885

“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.