SCHEMBL25377549

SCHEMBL25377549

COc1ccc(Cc2nccc3c([N+](=O)[O-])c(C)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.48
▸ PDE3A Q14432 2/20 0.48
▸ PDE10A Q9Y233 2/20 0.48
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ DCTPP1 Q9H773 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL25373797 0.85 ALDH1A1 (0.41) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL25375892 0.85 ALDH1A1 (0.41) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL25373908 0.82 ALDH1A1 (0.39) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL30402558 0.82 ALDH1A1 (0.39) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL25379029 0.79 PDE10A (0.53) PDE3BPDE3APDE10AHPGDNPC1
SCHEMBL26373121 0.78 ALDH1A1 (0.51) PDE3BPDE3AHPGDALDH1A1KMT2A
SCHEMBL30402574 0.77 CSNK2A2 (0.40) HPGDALDH1A1HTTLMNAPOLB
SCHEMBL25376248 0.77 CSNK2A2 (0.40) HPGDALDH1A1HTTLMNAPOLB
SCHEMBL25373700 0.76 MAPT (0.55) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL6603021 0.75 ALDH1A1 (0.48) ALDH1A1HTTLMNAPOLBKMT2A

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 PDE3B 1633/4885PDE3A 1344/4885PDE10A 734/4885

“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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