SCHEMBL25375716

SCHEMBL25375716

Cc1ccc2c(Cc3ccccc3F)nccc2c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ AR P10275 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ MGMT P16455 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL25372994 0.86 TSHR (0.42) TSHRARALDH1A1CYP1A2CYP2C19
SCHEMBL25373892 0.85 AR (0.43) TSHRARALDH1A1GAATDP1
SCHEMBL30401021 0.85 AR (0.43) TSHRARALDH1A1GAATDP1
SCHEMBL25376925 0.84 ALDH1A1 (0.36) TSHRALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL30402534 0.84 ALDH1A1 (0.36) TSHRALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL25377855 0.84 S1PR4 (0.38) TSHRALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL25375892 0.81 ALDH1A1 (0.41) TSHRALDH1A1MGMTCYP1A2CYP2C19
SCHEMBL25375809 0.79 AR (0.41) ARALDH1A1MAPTTP53RXFP1
SCHEMBL26373121 0.78 ALDH1A1 (0.51) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL25373797 0.76 ALDH1A1 (0.41) TSHRALDH1A1CYP1A2CYP2C19GAA

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 TSHR 2621/4885AR 209/4885ALDH1A1 262/4885

“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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