SCHEMBL29540778

SCHEMBL29540778

Cn1cc(CO)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ POLB P06746 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ F2R P25116 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ F2RL3 Q96RI0 1/20 0.51
▸ CDK2 P24941 7/20 0.51
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL11126322 0.90 MAPT (0.50) MAPTPOLBATMMEN1KMT2A
SCHEMBL9400557 0.88 MAPT (0.51) MAPTPOLBATMMEN1KMT2A
SCHEMBL3354579 0.83 MAPT (0.47) MAPTPOLBATMMEN1KMT2A
SCHEMBL10577625 0.82 CDK2 (0.46) MAPTPOLBATMMEN1KMT2A
SCHEMBL3355292 0.81 HTR6 (0.59) MAPTPOLBATMMEN1KMT2A
SCHEMBL20507307 0.80 MAPT (0.56) MAPTPOLBATMMEN1KMT2A
SCHEMBL3352978 0.80 CACNB4 (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23525638 0.79 CDK2 (0.53) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3356257 0.79 CACNB4 (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3355596 0.79 ALDH1A1 (0.55) MAPTMEN1KMT2ALMNACDK2

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 287/4885POLB 3248/4885ATM 749/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 MAPT 287/4885POLB 3248/4885ATM 749/4885

“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.

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