SCHEMBL25377855

SCHEMBL25377855

Cc1ccc2c(Cc3ccc(Cl)cc3F)nccc2c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ GPR52 Q9Y2T5 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ TBXA2R P21731 2/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ PTGER1 P34995 2/20 0.32
▸ PTGER3 P43115 2/20 0.32
▸ PTGER2 P43116 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PAX8 Q06710 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
SCHEMBL25375716 0.84 TSHR (0.42) ALDH1A1TSHRKMT2ALMNACYP1A2
SCHEMBL25373797 0.82 ALDH1A1 (0.41) ALDH1A1RPS6KB1TSHRKMT2ALMNA
SCHEMBL30401923 0.81 ALDH1A1 (0.38) ALDH1A1TSHRPOLBKMT2AGPR52
SCHEMBL24399680 0.81 ALDH1A1 (0.38) ALDH1A1TSHRPOLBKMT2AGPR52
SCHEMBL30402534 0.80 ALDH1A1 (0.36) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL25376925 0.80 ALDH1A1 (0.36) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL30402574 0.80 CSNK2A2 (0.40) ALDH1A1RPS6KB1TSHRPOLBKMT2A
SCHEMBL25376248 0.80 CSNK2A2 (0.40) ALDH1A1RPS6KB1TSHRPOLBKMT2A
SCHEMBL25372994 0.80 TSHR (0.42) ALDH1A1TSHRKMT2ALMNACYP1A2
SCHEMBL25375892 0.77 ALDH1A1 (0.41) ALDH1A1TSHRPOLBKMT2ALMNA

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 S1PR4 2425/4885ALDH1A1 262/4885RPS6KB1 4099/4885

“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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