SCHEMBL26618744

SCHEMBL26618744

CNc1c(C)cc(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 3/20 0.45
▸ GRIN3B O60391 3/20 0.45
▸ GRIN1 Q05586 3/20 0.45
▸ GRIN2A Q12879 3/20 0.45
▸ GRIN2B Q13224 3/20 0.45
▸ GRIN2C Q14957 3/20 0.45
▸ GRIN3A Q8TCU5 3/20 0.45
▸ CYP1A2 P05177 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL18321960 0.83 ALDH1A1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26618357 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31317629 0.81 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26625506 0.81 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26618627 0.80 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22805139 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29363774 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26618657 0.76 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26618685 0.76 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28977893 0.76 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326770-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-10-23 — — US disclosed
US-20250296939-A1 BENZOTHIOPHENE COMPOUND KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2025-09-25 — — US disclosed
US-20250282724-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-09-11 — — US disclosed
US-12378260-B2 Benzotriazole compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-08-05 — — US disclosed
US-20250092064-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-20 — — US disclosed
EP-4516792-A1 BENZOTHIOPHENE COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2025-03-05 — — EP disclosed
EP-4509504-A1 BENZOTRIAZOLE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-02-19 — — EP disclosed
CN-119173511-A Benzotriazole compounds 第一三共株式会社 2024-12-20 — — CN disclosed
WO-2023210741-A1 BENZOTRIAZOLE COMPOUND 第一三共株式会社 2023-11-02 — — WO disclosed
WO-2023210740-A1 BENZOTHIOPHENE COMPOUND 第一三共株式会社 2023-11-02 — — 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 (5 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-20250296939-A1 BENZOTHIOPHENE COMPOUND NFE2L2, KEAP1, BPTF GRIN2D 4293/4885GRIN3B 2877/4885GRIN1 2738/4885
US-20250092064-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 GRIN2D 3798/4885GRIN3B 2425/4885GRIN1 2211/4885
US-12378260-B2 Benzotriazole compound NFE2L2, BPTF, KEAP1 GRIN2D 3798/4885GRIN3B 2425/4885GRIN1 2211/4885
US-20250326770-A1 BENZOTRIAZOLE COMPOUND KEAP1, NFE2L2, TXNRD2 GRIN2D 2019/4885GRIN3B 2713/4885GRIN1 2363/4885
US-20250282724-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 GRIN2D 3798/4885GRIN3B 2425/4885GRIN1 2211/4885

“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.

Send feedback