SCHEMBL17705265

SCHEMBL17705265

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 4/20 0.38
GSTO1 P78417 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTT P42858 1/20 0.36
PARP1 P09874 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
SCHEMBL17705264 0.86 LMNA (0.48) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705221 0.86 BRD4 (0.45) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18892534 0.78 LMNA (0.45) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705260 0.77 BRD4 (0.34) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705225 0.76 MEN1 (0.34) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705215 0.74 TP53 (0.38) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL17705268 0.74 LMNA (0.33) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL16293910 0.73 LMNA (0.41) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17700677 0.73 LMNA (0.36) BRD4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705266 0.71 F7 (0.36)

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.