SCHEMBL25376257

SCHEMBL25376257

CC(=O)c1nccc2c([N+](=O)[O-])c(C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ TSHR P16473 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL30402540 1.00 ALDH1A1 (0.47) ALDH1A1PDE3BPDE3ATSHRTDP1
SCHEMBL21603380 0.83 ALDH1A1 (0.46) ALDH1A1PDE3BPDE3ATSHRTDP1
SCHEMBL25376149 0.80 ALDH1A1 (0.53) ALDH1A1PDE3BPDE3ATSHRTDP1
SCHEMBL30162663 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HPGDKMT2A
SCHEMBL2260806 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HPGDKMT2A
SCHEMBL17263930 0.77 TSHR (0.64) ALDH1A1TSHRTDP1KMT2ASMN1; SMN2
SCHEMBL30402475 0.76 RAF1 (0.48) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL25375966 0.76 RAF1 (0.48) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL25378118 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HPGDKMT2A
SCHEMBL30402505 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HPGDKMT2A

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-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
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 262/4885PDE3B 1633/4885PDE3A 1344/4885

“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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