SCHEMBL5110179

SCHEMBL5110179

C[C@H](NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CO)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PRCP P42785 4/20 0.39
ROCK2 O75116 1/20 0.37
USP1 O94782 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
ALOX12 P18054 1/20 0.37
APOBEC3A P31941 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SPHK1 Q9NYA1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL5103935 1.00 TDP1 (0.43) TDP1HSD11B1L3MBTL1PRCPROCK2
SCHEMBL14177350 0.94 TDP1 (0.43) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL2997160 0.94 TDP1 (0.43) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL5104101 0.94 TDP1 (0.43) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL3003473 0.94 TDP1 (0.43) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL5103945 0.92 TDP1 (0.42) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL5100482 0.92 TDP1 (0.42) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL8329327 0.92 TDP1 (0.42) TDP1HSD11B1L3MBTL1PRCPUSP1
SCHEMBL4239498 0.92 TDP1 (0.42) TDP1HSD11B1L3MBTL1PRCPALDH1A1
SCHEMBL5096888 0.92 HRH3 (0.43) TDP1HSD11B1L3MBTL1PRCPMEN1

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 7 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-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 1525/4885HSD11B1 964/4885L3MBTL1 4590/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 TDP1 1062/4885HSD11B1 554/4885L3MBTL1 4452/4885

“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.