SCHEMBL5110178

SCHEMBL5110178

Cc1cc(C(=O)N[C@H](c2nc3cc(Cl)ccc3[nH]2)[C@H](C)OC(C)(C)C)ccc1C(=O)N1CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
B3GNT2 Q9NY97 5/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
APOBEC3A P31941 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
F9 P00740 1/20 0.32
PYGL P06737 3/20 0.32
HRH4 Q9H3N8 2/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL5104007 0.89 KMT2A (0.44) TDP1KMT2AMEN1GAAL3MBTL1
SCHEMBL5109656 0.89 KMT2A (0.38) TDP1KMT2AMEN1GAAL3MBTL1
SCHEMBL5096621 0.86 L3MBTL1 (0.45) TDP1L3MBTL1B3GNT2S1PR1S1PR3
SCHEMBL3001513 0.86 L3MBTL1 (0.45) TDP1L3MBTL1B3GNT2S1PR1S1PR3
SCHEMBL5100841 0.85 MEN1 (0.38) TDP1KMT2AMEN1GAAL3MBTL1
SCHEMBL2999496 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL6532676 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL2999425 0.82 OPRM1 (0.38) KMT2AMEN1L3MBTL1ALDH1A1ALOX12
SCHEMBL2999422 0.82 OPRM1 (0.38) KMT2AMEN1L3MBTL1ALDH1A1ALOX12
SCHEMBL5100785 0.81 KMT2A (0.49) TDP1KMT2AMEN1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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 (2 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TDP1 1525/4885KMT2A 3087/4885MEN1 1667/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 TDP1 1062/4885KMT2A 3716/4885MEN1 1638/4885

“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.