SCHEMBL17705261

SCHEMBL17705261

CN(C)Cc1cc(NC(=O)CCc2cc(Br)ccc2OCC(F)F)ccc1S(=O)(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
P2RX4 Q99571 1/20 0.35
PTGES O14684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
CCR5 P51681 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18892502 0.92 LMNA (0.36) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL17705220 0.88 LMNA (0.49) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL17705260 0.88 BRD4 (0.34) LMNAALDH1A1MAPTP2RX4SMN1; SMN2
SCHEMBL17705234 0.86 LRRK2 (0.42) LMNAALDH1A1HTTP2RX4L3MBTL1
SCHEMBL17705224 0.85 L3MBTL1 (0.39) LMNAALDH1A1MAPTHTTP2RX4
SCHEMBL17705269 0.82 LMNA (0.36) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL18892525 0.80 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL18892524 0.80 HDAC1 (0.37) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL17705278 0.80 LMNA (0.41) LMNAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL17705251 0.79 LMNA (0.39) LMNAALDH1A1MAPTSMN1; SMN2RAB9A

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 LMNA 963/4885APOBEC3A 3205/4885APOBEC3G 2681/4885

“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.