SCHEMBL6504658

SCHEMBL6504658

CC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(CC(F)(F)F)c(=O)c3ccccc32)nc2cc(CN)ccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL6361480 0.93 MEN1 (0.37) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL6217706 0.89 GNRHR (0.39) TP53MAPTSMN1; SMN2CNR2
SCHEMBL6242827 0.88 MEN1 (0.36) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL6504017 0.87 CYP3A4 (0.42) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL6217704 0.87 PTGER4 (0.34) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL6499432 0.83 MEN1 (0.38) MEN1KMT2AMAPT
SCHEMBL6218691 0.82 GNRHR (0.39) TP53SMN1; SMN2CNR2
SCHEMBL6247921 0.81 GNRHR (0.41) TP53SMN1; SMN2CNR2
SCHEMBL6276414 0.80 PTGER4 (0.34) MEN1KMT2ATP53MAPTCNR2
SCHEMBL6247538 0.79 GNRHR (0.41) TP53SMN1; SMN2CNR2

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 MEN1 4565/4885KMT2A 249/4885TP53 2853/4885

“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.