SCHEMBL5998069

SCHEMBL5998069

CC(C)(C)N1C(=O)Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CASP6 P55212 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP4 P49662 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL1231915 0.80 GAA (0.57) GAAKMT2AMEN1CASP6POLB
SCHEMBL30663251 0.80 GAA (0.57) GAAKMT2AMEN1CASP6POLB
SCHEMBL4201836 0.77 KMT2A (0.53) GAAKMT2AMEN1CASP6POLB
SCHEMBL30661549 0.77 KMT2A (0.53) GAAKMT2AMEN1CASP6POLB
SCHEMBL4106672 0.77 GAA (0.53) GAAKMT2AMEN1CASP6POLB
SCHEMBL5624092 0.75 MAPT (0.58) GAAKMT2AMEN1CASP6POLB
SCHEMBL13920385 0.75 TP53 (0.38) POLBTDP1CASP3ALDH1A1CYP3A4
SCHEMBL5998058 0.75 ATAD2 (0.45) GAAKMT2AMEN1APEX1TDP1
SCHEMBL16830137 0.75 ALDH1A1 (0.47) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL5121854 0.74 GAA (0.51) GAAKMT2AMEN1CASP6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 US disclosed
US-20060030609-A1 Oxazolidinones containing oxindoles as antibacterial agents LUEHR GARY W 2006-02-09 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 (3 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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 GAA 1788/4885KMT2A 3543/4885MEN1 3979/4885
US-20060030609-A1 Oxazolidinones containing oxindoles as antibacterial agents OXA1L, OXSR1, OXER1 GAA 4408/4885KMT2A 3894/4885MEN1 1292/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 GAA 1788/4885KMT2A 3543/4885MEN1 3979/4885

“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.