SCHEMBL17705282

SCHEMBL17705282

CN(C)Cc1cc(NC(=O)CCc2cc(Br)ccc2OCC(F)F)cc(F)c1OC(CF)CF

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CCR5 P51681 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HPGD P15428 1/20 0.32
MTNR1B P49286 1/20 0.32
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18892538 0.92 LMNA (0.36) LMNAMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL17705278 0.92 LMNA (0.41) LMNAMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL17700709 0.87 LMNA (0.33) LMNAMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL18892424 0.84 LMNA (0.39) LMNAMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL17705277 0.79 BRD4 (0.34) ALDH1A1KDM4E
SCHEMBL16293460 0.79 LMNA (0.35) LMNAMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL16296562 0.78
SCHEMBL17705261 0.76 LMNA (0.38) LMNAMAPK1HSD17B10ALDH1A1MAPT
SCHEMBL29965019 0.72 CCR5 (0.56) ALDH1A1RAB9AKMT2ACCR5POLB
SCHEMBL16293560 0.69 NLRP3 (0.30)

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 963/4885MAPK1 3320/4885HSD17B10 1385/4885

“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.