SCHEMBL16307111

SCHEMBL16307111

CCCCOc1ccc(Br)cc1CC#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CSNK2A1 P68400 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
EGFR P00533 1/20 0.38
CCR5 P51681 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL15271155 0.86 LMNA (0.50) LMNASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL6911481 0.82 CYP1A2 (0.39) SMN1; SMN2HPGDALDH1A1
SCHEMBL15820910 0.80 HPGD (0.46) LMNASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8709749 0.80 CSNK2A1 (0.41) LMNASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL16306933 0.80 LMNA (0.57) LMNASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL15989612 0.80 THRA (0.39) LMNASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL799826 0.79 MAPT (0.43) SMN1; SMN2NPSR1HPGDKDM4EALDH1A1
SCHEMBL4171690 0.79 KDM4E (0.50) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL28270348 0.79 ALDH1A1 (0.41) RAB9AKMT2AMEN1HTTALDH1A1
SCHEMBL4456952 0.78 HPGD (0.56) LMNASMN1; SMN2RAB9ANPC1KMT2A

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 4 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
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO 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 963/4885SMN1; SMN2 2965/4885RAB9A 2322/4885

“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.