SCHEMBL5097259

SCHEMBL5097259

C[C@H](NC(=O)c1ccc(C(=O)N2CCSC2)c(Br)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CCKBR P32239 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRSS12 P56730 1/20 0.34
PRCP P42785 4/20 0.34
B3GNT2 Q9NY97 3/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
APOBEC3A P31941 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5109888 0.92 TDP1 (0.46) TDP1L3MBTL1CCKBRKDM4ELMNA
SCHEMBL5097196 0.89 TDP1 (0.46) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL14277108 0.89 TDP1 (0.46) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL5100187 0.88 TDP1 (0.44) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL5100339 0.87 TDP1 (0.47) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL6471308 0.85 TDP1 (0.46) TDP1L3MBTL1CCKBRKDM4ELMNA
SCHEMBL5100614 0.83 L3MBTL1 (0.48) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL5100623 0.83 L3MBTL1 (0.48) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL14177449 0.82 TDP1 (0.40) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL6531180 0.82 TDP1 (0.40) TDP1L3MBTL1KDM4ELMNAALDH1A1

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
WO-2005121090-A1 SUBSTITUTED PIPERIDINES THAT HAVE ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2005-12-22 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 (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 4590/4885CCKBR 521/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 TDP1 1062/4885L3MBTL1 4452/4885CCKBR 506/4885

“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.