SCHEMBL6526738

SCHEMBL6526738

CNC(=O)CCC1CCCN1C(=O)c1ccc(C(=O)N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PRCP P42785 8/20 0.40
HSD11B1 P28845 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
APOBEC3A P31941 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
F10 P00742 1/20 0.34
HCRTR1 O43613 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
FABP4 P15090 1/20 0.33

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
SCHEMBL5111281 1.00 TDP1 (0.41) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL5103813 1.00 TDP1 (0.41) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL5103745 0.93 TDP1 (0.42) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL8337272 0.93 TDP1 (0.42) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL14177450 0.93 TDP1 (0.42) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL8334978 0.92 TDP1 (0.41) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL6530239 0.91 HSD11B1 (0.41) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL5103317 0.91 HSD11B1 (0.41) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL5103315 0.91 HSD11B1 (0.41) TDP1PRCPHSD11B1L3MBTL1ALDH1A1
SCHEMBL5097380 0.91 TDP1 (0.42) TDP1PRCPHSD11B1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TDP1 1525/4885PRCP 518/4885HSD11B1 964/4885

“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.