SCHEMBL29540947

SCHEMBL29540947

Cc1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 1/20 0.37
NR3C2 P08235 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5446082 1.00 MAPT (0.46) MAPTALDH1A1LMNACYP19A1MEN1
SCHEMBL27909522 0.85 KMT2A (0.45) MAPTALDH1A1LMNACYP19A1MEN1
SCHEMBL28808282 0.85 CCR2 (0.47) MAPTALDH1A1LMNACYP19A1MEN1
SCHEMBL28808278 0.85 MAPT (0.44) MAPTALDH1A1LMNACYP19A1ALOX5
SCHEMBL29780834 0.85 MAPT (0.44) MAPTALDH1A1LMNACYP19A1ALOX5
SCHEMBL2930636 0.84 MAPT (0.44) MAPTALDH1A1LMNACYP19A1BRD4
SCHEMBL29540854 0.83 MAPT (0.43) MAPTALDH1A1LMNACYP19A1BRD4
SCHEMBL3023818 0.83 NOD2 (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23320505 0.82 CYP19A1 (0.59) CYP19A1NR1H2
SCHEMBL6750910 0.82 GAA (0.46) ALDH1A1CYP19A1MEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 US disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 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 (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-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 MAPT 287/4885ALDH1A1 1856/4885LMNA 4165/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 MAPT 287/4885ALDH1A1 1856/4885LMNA 4165/4885

“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.