SCHEMBL22721456

SCHEMBL22721456

COc1cc2ccncc2cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ HASPIN Q8TF76 1/20 0.49
▸ MAOA P21397 2/20 0.47
▸ ERN1 O75460 4/20 0.46
▸ CYP3A4 P08684 8/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 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
SCHEMBL22721440 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRTDP1CCNT1
SCHEMBL1271246 0.82 MAOA (0.59) ALDH1A1KDM4EMAOACYP3A4HPGD
Hydrochloric Acid SCHEMBL9623496 0.81 MAOA (0.61) ALDH1A1KDM4EMAOACYP3A4HPGD
SCHEMBL4059355 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1487621 0.78 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL28125417 0.77 MAOA (0.44) KDM4ETSHRMAOACYP3A4
SCHEMBL11299778 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL24165355 0.76 MAOA (0.53) ALDH1A1MAOACYP3A4
SCHEMBL3894423 0.76 MAOA (0.53) ALDH1A1MAOACYP3A4
SCHEMBL1605930 0.75 ERN1 (0.49) ALDH1A1KDM4ETSHRTDP1MAOA

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
US-12559504-B2 Benzotriazole derivative UBE CORPORATION (JP) 2026-02-24 — — US disclosed
EP-3978073-B1 1H-BENZO[D][1,2,3]TRIAZOLE DERIVATIVES AS KEAP1 INHIBITORS FOR THE TREATMENT OF RENAL DISEASES UBE CORP (JP) 2025-10-15 — — EP disclosed
CN-114174289-B Benzotriazole derivatives UBE株式会社 2025-03-07 — — CN disclosed
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 — — US disclosed
EP-3978073-A1 BENZOTRIAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2022-04-06 — — EP disclosed
CN-114174289-A Benzotriazole derivatives 宇部兴产株式会社 2022-03-11 — — CN disclosed
WO-2020241853-A1 BENZOTRIAZOLE DERIVATIVE 宇部興産株式会社 2020-12-03 — — 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 (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-12559504-B2 Benzotriazole derivative KEAP1, NFE2L2, NCOR1 ALDH1A1 198/4885KDM4E 502/4885TSHR 2245/4885
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE KEAP1, NFE2L2, BACH1 ALDH1A1 301/4885KDM4E 729/4885TSHR 4053/4885

“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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