SCHEMBL25258567

SCHEMBL25258567

O=S(=O)(c1ccc(C2CNC2)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ NAMPT P43490 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ DDIT3 P35638 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL31638148 0.90 PKM (0.37) LMNAHTTSMN1; SMN2PIK3C3KDM4E
SCHEMBL19308217 0.82 LMNA (0.50) LMNAHTTSMN1; SMN2KDM4EMAPK1
SCHEMBL25296022 0.75 LMNA (0.43) LMNAHTTNAMPTSMN1; SMN2ALDH1A1
SCHEMBL25325992 0.75 PKM (0.36) LMNAHTTSMN1; SMN2KDM4EMAPK1
SCHEMBL21795337 0.75 MMP8 (0.44) LMNAHTTNAMPTPIK3C3KDM4E
SCHEMBL25296150 0.73 MAPK1 (0.56) HTTNAMPTSMN1; SMN2PIK3C3MAPK1
SCHEMBL765653 0.73 ALDH1A1 (0.49) LMNAMAPK1ALDH1A1CYP2C9MEN1
SCHEMBL1815102 0.73 MEN1 (0.49) LMNAHTTKDM4EALDH1A1MEN1
SCHEMBL20379865 0.73 TSHR (0.46) LMNANAMPTPIK3C3ALDH1A1CYP2C9
SCHEMBL23633178 0.73 MMP13 (0.44) NAMPTSMN1; SMN2PIK3C3KDM4ECYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US 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 (3 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY LMNA 154/4885HTT 1702/4885NAMPT 1819/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY LMNA 154/4885HTT 1702/4885NAMPT 1819/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 LMNA 3406/4885HTT 83/4885NAMPT 965/4885

“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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