SCHEMBL4459556

SCHEMBL4459556

Cc1cc([N+](=O)[O-])ccc1N1CCCCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 9/20 0.44
CYP3A4 P08684 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 4/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PAX8 Q06710 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40

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
SCHEMBL85193 0.96 ALDH1A1 (0.45) L3MBTL1ALDH1A1CYP3A4TDP1GAA
SCHEMBL5375868 0.91 ALDH1A1 (0.47) L3MBTL1ALDH1A1CYP3A4TDP1GAA
SCHEMBL4508548 0.81 MAPT (0.48) ALDH1A1CYP3A4GAALMNACYP1A2
SCHEMBL85584 0.80 TDP1 (0.53) L3MBTL1ALDH1A1CYP3A4TDP1GAA
SCHEMBL4013521 0.80 CYP3A4 (0.46) L3MBTL1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL4475157 0.80 ALDH1A1 (0.54) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL5415229 0.79 TDP1 (0.52) L3MBTL1ALDH1A1CYP3A4TDP1GAA
SCHEMBL24105032 0.79 TDP1 (0.55) L3MBTL1ALDH1A1CYP3A4TDP1GAA
SCHEMBL30168136 0.79 TDP1 (0.55) L3MBTL1ALDH1A1CYP3A4TDP1GAA
SCHEMBL19308381 0.77 CRHR1 (0.37) ALDH1A1CYP3A4LMNACYP1A2CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
EP-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO disclosed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS PYCR1, OAT, UROD L3MBTL1 4858/4885ALDH1A1 1882/4885CYP3A4 849/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC L3MBTL1 2422/4885ALDH1A1 910/4885CYP3A4 766/4885

“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.