SCHEMBL26373574

SCHEMBL26373574

Cc1ccc2c(C#N)nccc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 4/20 0.43
▸ TDP1 Q9NUW8 4/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL15758244 0.83 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL25376149 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL2260806 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL30162663 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL17263930 0.77 TSHR (0.64) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL3643097 0.76 CARM1 (0.48) ALDH1A1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL6603021 0.75 ALDH1A1 (0.48) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL26373121 0.75 ALDH1A1 (0.51) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL30402540 0.73 ALDH1A1 (0.47) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL25376257 0.73 ALDH1A1 (0.47) ALDH1A1TSHRTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 — — 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 (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-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM ALDH1A1 262/4885TSHR 2621/4885TDP1 4169/4885

“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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