SCHEMBL5103701

SCHEMBL5103701

O=C(O)c1ccc(C(=O)N2CCCC2)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
MBTD1 Q05BQ5 1/20 0.62
HPGD P15428 10/20 0.56
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.46
TP53BP1 Q12888 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL28355482 0.86 HPGD (0.66) L3MBTL3L3MBTL1MBTD1HPGDTSHR
SCHEMBL5097057 0.84 MBTD1 (0.48) L3MBTL3L3MBTL1MBTD1HPGDTSHR
SCHEMBL5096987 0.82 HPGD (0.55) L3MBTL3L3MBTL1HPGDTSHRALDH1A1
SCHEMBL5103932 0.82 MBTD1 (0.56) L3MBTL3L3MBTL1MBTD1HPGDTSHR
SCHEMBL5110700 0.81 POLB (0.66) L3MBTL3L3MBTL1HPGDTSHRALDH1A1
SCHEMBL28355488 0.79 CPS1 (0.54) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL29606862 0.79 CPS1 (0.54) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL3426027 0.79 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1HPGDTSHR
SCHEMBL5100284 0.77 HPGD (0.51) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL5104029 0.77 HPGD (0.46) L3MBTL3L3MBTL1MBTD1HPGDTSHR

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 5 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-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
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 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 L3MBTL3 4830/4885L3MBTL1 4590/4885MBTD1 4728/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 L3MBTL3 4862/4885L3MBTL1 4452/4885MBTD1 4551/4885

“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.