SCHEMBL25378118

SCHEMBL25378118

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CTSB P07858 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.32
▸ CTSH P09668 1/20 0.32
▸ S100A4 P26447 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL30402505 1.00 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL25376047 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL30401809 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL25376149 0.79 ALDH1A1 (0.53) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL2260806 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL30162663 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL17263930 0.76 TSHR (0.64) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL25376257 0.75 ALDH1A1 (0.47) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL30402540 0.75 ALDH1A1 (0.47) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6603021 0.74 ALDH1A1 (0.48) 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 5 patents. 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
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
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 — — EP disclosed
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 — — CN disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 — — 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-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.

Send feedback