SCHEMBL23122433

SCHEMBL23122433

Nc1ccc(Br)c(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ TDP1 Q9NUW8 5/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PDE7A Q13946 1/20 0.33

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
SCHEMBL28315230 0.79 GPR35 (0.41) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL27468140 0.79 TSHR (0.47) ALDH1A1MEN1KMT2AUSP2KEAP1
SCHEMBL27856588 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL239430 0.77 MEN1 (0.41) ALDH1A1MEN1KMT2AUSP2KEAP1
SCHEMBL30152516 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL16831028 0.76 AR (0.37) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL11149907 0.75 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL30834568 0.74 AR (0.43) ALDH1A1TDP1CYP3A4MAPTALOX15
SCHEMBL6073696 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18338685 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AUSP2KEAP1

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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — 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 (1 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 ALDH1A1 1096/4885MEN1 1973/4885KMT2A 254/4885

“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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