SCHEMBL6530239

SCHEMBL6530239

C[C@H](NC(=O)c1ccc(C(=O)N2CCCC2CCC(=O)N2CCCC2)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PRCP P42785 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
APOBEC3A P31941 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
F10 P00742 3/20 0.35
HCRTR1 O43613 1/20 0.35
GRM5 P41594 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL5103315 1.00 HSD11B1 (0.41) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL5103317 1.00 HSD11B1 (0.41) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL5103745 0.92 TDP1 (0.42) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL8337272 0.92 TDP1 (0.42) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL8334978 0.91 TDP1 (0.41) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL5103813 0.91 TDP1 (0.41) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL5111281 0.91 TDP1 (0.41) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL6526738 0.91 TDP1 (0.41) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL5097380 0.90 TDP1 (0.42) HSD11B1TDP1PRCPL3MBTL1MEN1
SCHEMBL5111110 0.90 TDP1 (0.42) HSD11B1TDP1PRCPL3MBTL1MEN1

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-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
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
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 HSD11B1 964/4885TDP1 1525/4885PRCP 518/4885

“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.