SCHEMBL3426210

SCHEMBL3426210

O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
POLB P06746 2/20 0.72
ALDH1A1 P00352 10/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HPGD P15428 2/20 0.63
RXFP1 Q9HBX9 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL25214956 0.86 MAPT (0.54) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL26102336 0.85 MAPT (0.53) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3427781 0.82 MAPT (0.72) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL25210457 0.82 ALDH1A1 (0.52) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL10126582 0.81 MAPT (0.70) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3911494 0.81 MAPT (0.70) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL4029063 0.81 MAPT (0.70) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3911491 0.80 POLB (0.68) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL22767345 0.79 LMNA (0.74) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7117505 0.79 MAPT (0.67) MAPTPOLBALDH1A1MEN1KMT2A

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-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
EP-1748996-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG Boehringer Ingelheim International GmbH (DE) 2007-02-07 EP disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
WO-2005111014-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 MAPT 1066/4885POLB 2488/4885ALDH1A1 1734/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MAPT 4378/4885POLB 3255/4885ALDH1A1 112/4885

“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.