SCHEMBL5097209

SCHEMBL5097209

CCN(CCCN)C(=O)c1ccc(C(=O)NC(C)c2nc3cc(Cl)ccc3[nH]2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PRCP P42785 5/20 0.36
TSHR P16473 2/20 0.36
PRSS12 P56730 1/20 0.36
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
F9 P00740 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5109481 0.95 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL5097320 0.91 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL5097012 0.84 L3MBTL1 (0.48) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL14196059 0.81 L3MBTL1 (0.47) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL5096849 0.81 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL5096847 0.81 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL5097573 0.79 SLC6A2 (0.46) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL4144296 0.79 EGFR (0.34) ALDH1A1KDM4EPRCPKMT2ARAB9A
SCHEMBL8337835 0.79 TDP1 (0.44) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL8337689 0.76 L3MBTL1 (0.44) ALDH1A1L3MBTL1TDP1KDM4ELMNA

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 ALDH1A1 328/4885L3MBTL1 4590/4885TDP1 1525/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 ALDH1A1 143/4885L3MBTL1 4452/4885TDP1 1062/4885

“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.