SCHEMBL6711542

SCHEMBL6711542

N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
F10 P00742 1/20 0.48
KLK1 P06870 1/20 0.48
S1PR3 Q99500 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL890777 0.85 F10 (0.62) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL10146365 0.81 F10 (0.59) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL10146366 0.79 F10 (0.61) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL10146425 0.79 KMT2A (0.53) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL10146428 0.79 F10 (0.67) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL890892 0.78 F10 (0.64) TDP1SMN1; SMN2F10S1PR3
SCHEMBL890722 0.78 F10 (0.54) TDP1KMT2ANPC1RAB9ALMNA
SCHEMBL13315118 0.78 NPC1 (0.56) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL10146434 0.76 F10 (0.63) TDP1KMT2ANPC1RAB9ATP53
SCHEMBL10146419 0.76 F10 (0.63) TDP1KMT2ANPC1RAB9ATP53

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-20040077690-A1 Quaternary amidino based inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1322637-A2 QUATERNARY AMIDINO BASED INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026731-A2 QUATERNARY AMIDINO BASED INHIBITORS OF FACTOR XA MILLENIUM PHARMACEUTICALS, INC. (US) 2002-04-04 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-20040077690-A1 Quaternary amidino based inhibitors of factor xa F12, TFPI, F11 PKM 3417/4885TDP1 559/4885KMT2A 3079/4885

“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.