SCHEMBL5111006

SCHEMBL5111006

CC(NC(=O)c1ccc(C(=O)N2CCCNCC2)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.48
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
PTK6 Q13882 2/20 0.39
LCK P06239 1/20 0.39
IP6K1 Q92551 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RHEB Q15382 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
APOBEC3A P31941 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL5096980 0.93 TDP1 (0.49) HRH4TDP1L3MBTL1IP6K1KDM4E
SCHEMBL5104124 0.92 TDP1 (0.48) HRH4TDP1L3MBTL1IP6K1KDM4E
SCHEMBL5110461 0.88 TDP1 (0.47) HRH4TDP1L3MBTL1IP6K1KDM4E
SCHEMBL5100728 0.88 TDP1 (0.49) HRH4TDP1L3MBTL1IP6K1KDM4E
SCHEMBL5110632 0.88 TDP1 (0.45) HRH4TDP1L3MBTL1PTK6IP6K1
SCHEMBL5100953 0.87 TDP1 (0.49) HRH4TDP1L3MBTL1IP6K1KDM4E
SCHEMBL5100339 0.87 TDP1 (0.47) HRH4TDP1L3MBTL1IP6K1KDM4E
SCHEMBL5096730 0.87 TDP1 (0.46) TDP1L3MBTL1PTK6IP6K1KDM4E
SCHEMBL1478989 0.86 TDP1 (0.47) HRH4TDP1L3MBTL1KDM4ELMNA
SCHEMBL14177368 0.86 TDP1 (0.49) HRH4TDP1L3MBTL1IP6K1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP claimed
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
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO 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
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 (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 HRH4 589/4885TDP1 1525/4885L3MBTL1 4590/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 HRH4 922/4885TDP1 1062/4885L3MBTL1 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.