SCHEMBL25373892

SCHEMBL25373892

Cc1ccc2c(Cc3ccccc3C(F)(F)F)nccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ GPR52 Q9Y2T5 1/20 0.33
▸ ATM Q13315 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GALR3 O60755 1/20 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
SCHEMBL30401021 1.00 AR (0.43) ARALDH1A1MAPK1TSHRTP53
SCHEMBL25375716 0.85 TSHR (0.42) ARALDH1A1TSHRTP53TDP1
SCHEMBL25372994 0.83 TSHR (0.42) ARALDH1A1MAPK1TSHRTDP1
SCHEMBL24399588 0.80 AR (0.44) ARALDH1A1MAPK1TSHRTP53
SCHEMBL30401766 0.80 AR (0.44) ARALDH1A1MAPK1TSHRTP53
SCHEMBL30402558 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KDM4EGAA
SCHEMBL25373908 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KDM4EGAA
SCHEMBL30402534 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRTDP1KDM4E
SCHEMBL25376925 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRTDP1KDM4E
SCHEMBL25374145 0.78 GPR52 (0.39) GPR52NR3C2CYP3A4

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 AR 209/4885ALDH1A1 262/4885MAPK1 3042/4885

“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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