SCHEMBL4458565

SCHEMBL4458565

O=C1COCCN1c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 10/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL29937396 1.00 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL29937859 0.84 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL2941971 0.84 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL77799 0.84 ALDH1A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL2942752 0.82 SMN1; SMN2 (0.43) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL11491917 0.81 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL27656428 0.81 CTSB (0.45) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5624620 0.81 SLC6A9 (0.46) MAPTALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL2103553 0.80 ALDH1A1 (0.68) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL29937693 0.80 ALDH1A1 (0.68) MAPTALDH1A1LMNASMN1; SMN2GAA

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
CN-115215816-B Synthesis method of lactam compound 普济生物科技(台州)有限公司 2024-02-02 CN disclosed
CN-115215816-A Synthesis method of lactam compound 普济生物科技(台州)有限公司 2022-10-21 CN disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
CN-101014591-A Novel substituted thiophenecarboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-08-08 CN disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP 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 (1 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC MAPT 341/4885ALDH1A1 910/4885LMNA 4288/4885

“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.