SCHEMBL6163842

SCHEMBL6163842

COC(=O)C(c1ccccc1)c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
EEF2K O00418 1/20 0.44
KLK7 P49862 4/20 0.43
F2R P25116 1/20 0.43
LSS P48449 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 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
SCHEMBL6166510 0.86 KMT2A (0.47) KMT2APRSS1CTSGCTRB1CMA1
SCHEMBL1578804 0.84 KMT2A (0.69) KMT2ATDP1ALDH1A1L3MBTL1KLK7
SCHEMBL9641199 0.81 TSHR (0.45) KMT2APRSS1CTSGCTRB1CMA1
SCHEMBL6168003 0.81 TSHR (0.48) KMT2APRSS1CTSGCTRB1CMA1
SCHEMBL2843638 0.80 KMT2A (0.58) KMT2ATDP1L3MBTL1KLK7CHRM2
SCHEMBL28093888 0.80 KMT2A (0.58) KMT2ATDP1ALDH1A1L3MBTL1KLK7
SCHEMBL2840268 0.78 KMT2A (0.61) KMT2ATDP1ALDH1A1L3MBTL1KLK7
SCHEMBL20529655 0.78 MEN1 (0.49) KMT2APRSS1CTSGCTRB1CMA1
Methane SCHEMBL28696266 0.78 KMT2A (0.56) KMT2ATDP1L3MBTL1KLK7CHRM2
SCHEMBL4539131 0.78 KMT2A (0.56) KMT2ATDP1L3MBTL1KLK7CHRM2

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI KMT2A 2054/4885PRSS1 43/4885CTSG 814/4885

“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.