SCHEMBL8156535

SCHEMBL8156535

CC(C)(CCc1ccc([N+](=O)[O-])cc1C(=O)O)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CDK2 P24941 4/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL8157066 0.85 KMT2A (0.37) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8168798 0.83 ERN1 (0.42) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8164225 0.82 ITGA4 (0.38) MAPTKMT2AMEN1GAAHTT
SCHEMBL25590473 0.80 FOLH1 (0.49) GAAHTTALDH1A1LMNACYP2C9
SCHEMBL13331261 0.78 MAPT (0.44) MAPTKMT2AMEN1GAATP53
SCHEMBL29423510 0.78 MAPT (0.44) MAPTKMT2AMEN1GAATP53
SCHEMBL28257472 0.75 HTT (0.58) MAPTKMT2AMEN1GAATP53
SCHEMBL25590499 0.73 FOLH1 (0.36) KMT2AHTTALDH1A1LMNACYP1A2
SCHEMBL6589180 0.73 HTT (0.63) MAPTKMT2AMEN1GAATP53
SCHEMBL5490141 0.72 TP53 (0.56) MAPTKMT2AMEN1GAATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 MAPT 2666/4885KMT2A 2808/4885MEN1 872/4885

“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.