SCHEMBL17705221

SCHEMBL17705221

COc1ccc(OBO)cc1CCC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(CN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
LMNA P02545 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
PARP1 P09874 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL17705225 0.89 MEN1 (0.34) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705260 0.89 BRD4 (0.34) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705215 0.89 TP53 (0.38) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL17705268 0.88 LMNA (0.33) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705232 0.87 LMNA (0.41) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705220 0.86 LMNA (0.49) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705265 0.86 BRD4 (0.45) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705212 0.85 RAB9A (0.40) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL17705216 0.79 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL18892525 0.78 LMNA (0.47) BRD4LMNASMN1; SMN2ALDH1A1KMT2A

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 BRD4 3808/4885LMNA 963/4885SMN1; SMN2 2965/4885

“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.