SCHEMBL5100728

SCHEMBL5100728

CC(=O)N1CCN(C(=O)c2ccc(C(=O)NC(C)c3nc4cc(Cl)ccc4[nH]3)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
IP6K1 Q92551 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MAPK10 P53779 3/20 0.39
MAPK9 P45984 1/20 0.38
MAPK8 P45983 1/20 0.38
HRH1 P35367 1/20 0.38
PRCP P42785 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
APOBEC3A P31941 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PRSS12 P56730 1/20 0.38

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
SCHEMBL5110461 0.93 TDP1 (0.47) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5096980 0.93 TDP1 (0.49) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5104124 0.92 TDP1 (0.48) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5103762 0.91 TDP1 (0.47) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5100339 0.90 TDP1 (0.47) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5100953 0.90 TDP1 (0.49) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5096730 0.90 TDP1 (0.46) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5103717 0.89 TDP1 (0.47) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5111006 0.88 HRH4 (0.48) TDP1L3MBTL1IP6K1LMNAKDM4E
SCHEMBL5096634 0.88 TDP1 (0.45) TDP1L3MBTL1IP6K1LMNAKDM4E

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 1525/4885L3MBTL1 4590/4885IP6K1 4412/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 TDP1 1062/4885L3MBTL1 4452/4885IP6K1 4082/4885

“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.