SCHEMBL25375892

SCHEMBL25375892

Cc1ccc2c(Cc3ccc(F)cc3)nccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SOS1 Q07889 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MGMT P16455 1/20 0.37
▸ POLB P06746 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 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
SCHEMBL25373797 0.88 ALDH1A1 (0.41) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL30402558 0.87 ALDH1A1 (0.39) ALDH1A1TSHRHTTPOLBSMN1; SMN2
SCHEMBL25373908 0.87 ALDH1A1 (0.39) ALDH1A1TSHRHTTPOLBSMN1; SMN2
SCHEMBL25377549 0.85 PDE3B (0.48) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL25375716 0.81 TSHR (0.42) ALDH1A1TSHRMGMTSMN1; SMN2TDP1
SCHEMBL26373121 0.80 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2TDP1CYP3A4
SCHEMBL30402574 0.79 CSNK2A2 (0.40) ALDH1A1TSHRHTTPOLBSMN1; SMN2
SCHEMBL25376248 0.79 CSNK2A2 (0.40) ALDH1A1TSHRHTTPOLBSMN1; SMN2
SCHEMBL25374145 0.78 GPR52 (0.39) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30402455 0.78 GPR52 (0.39) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19

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 ALDH1A1 262/4885SOS1 3813/4885TSHR 2621/4885

“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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