SCHEMBL6771926

SCHEMBL6771926

CC(C)(C)OC(=O)Nc1ccc(O[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 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
SCHEMBL977967 0.84 MEN1 (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28885280 0.81 MAPT (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5563288 0.81 MEN1 (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29430688 0.80 ABCB1 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL975856 0.80 ABCB1 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL31365089 0.80 ALDH1A1 (0.58) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL8231247 0.80 ALDH1A1 (0.58) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL15160073 0.79 HTT (0.53) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL8469198 0.79 KCNMA1 (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2133252 0.78 ADRA2A (0.41) KMT2AMEN1NPC1RAB9AMAPT

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-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 KMT2A 2684/4885MEN1 611/4885NPC1 1837/4885

“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.