SCHEMBL6504017

SCHEMBL6504017

NCc1ccc2c(c1)nc(Cn1c(=O)n(CC(F)(F)F)c(=O)c3ccccc31)n2CCCCO

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6242827 0.94 MEN1 (0.36) HDAC1HDAC8TP53SMN1; SMN2HDAC6
SCHEMBL6361480 0.88 MEN1 (0.37) TP53SMN1; SMN2THRBMEN1KMT2A
SCHEMBL6499432 0.88 MEN1 (0.38) MEN1KMT2A
SCHEMBL6504658 0.87 MEN1 (0.36) TP53SMN1; SMN2MEN1KMT2A
SCHEMBL6247538 0.85 GNRHR (0.41) TP53SMN1; SMN2THRB
SCHEMBL6274097 0.83 CYP3A4 (0.58) CYP3A4HDAC1HDAC8SMN1; SMN2MEN1
SCHEMBL6247921 0.81 GNRHR (0.41) TP53SMN1; SMN2THRB
SCHEMBL31069367 0.79
SCHEMBL7891212 0.78 NPSR1 (0.46) CYP3A4SMN1; SMN2
SCHEMBL6246742 0.78 ALDH1A1 (0.44) CYP3A4HDAC1HDAC8SMN1; SMN2

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 CYP3A4 215/4885HDAC1 807/4885HDAC8 434/4885

“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.