SCHEMBL6459759

SCHEMBL6459759

CN(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP2C9 P11712 2/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 5/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL4368583 0.82 PDK1 (0.45) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL29130767 0.80 MAPT (0.58) MAPTALDH1A1CYP2C9MEN1KMT2A
SCHEMBL30839701 0.79 ALDH1A1 (0.45) MAPTALDH1A1KMT2ALMNANPC1
SCHEMBL6355957 0.77 HSD17B10 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30291778 0.76 KCNMA1 (0.44) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29534093 0.74 HSD17B10 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL12031273 0.74 HSD17B10 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8164140 0.74 KMT2A (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4364547 0.74 PDK1 (0.45) MAPTALDH1A1CYP2C9MEN1KMT2A
SCHEMBL31324581 0.74 MAPT (0.51) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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 (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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 MAPT 1066/4885ALDH1A1 1734/4885CYP2C9 103/4885

“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.