SCHEMBL25236791

SCHEMBL25236791

C=C(c1cccc(C)c1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ PKM P14618 1/20 0.53
▸ LMNA P02545 3/20 0.48
▸ GRM5 P41594 3/20 0.48
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29390740 1.00 KMT2A (0.56) KMT2AMEN1NPC1RAB9APKM
SCHEMBL28576081 0.81 KMT2A (0.50) KMT2AMEN1NPC1RAB9APKM
SCHEMBL9335195 0.81 PRSS1 (0.44) KMT2AMEN1NPC1RAB9APKM
SCHEMBL7401799 0.80 NPC1 (0.53) KMT2ANPC1RAB9APKMGRM5
SCHEMBL12441772 0.80 KMT2A (0.66) KMT2AMEN1NPC1RAB9APKM
SCHEMBL10824241 0.80 KMT2A (0.59) KMT2AMEN1NPC1RAB9APKM
SCHEMBL1793374 0.78 PARP1 (0.56) KMT2AMEN1NPC1RAB9AHPGD
Methyl Alcohol SCHEMBL28478481 0.78 ALDH1A1 (0.58) KMT2ANPC1RAB9APKMLMNA
SCHEMBL9336728 0.77 KDM4E (0.55) KMT2ANPC1RAB9APKMLMNA
SCHEMBL12802229 0.76 SMN1; SMN2 (0.53) KMT2AMEN1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12629359-B2 Structural analogues of methylphenidate as Parkinson's disease-modifying agents UNIVERSITA' DEGLI STUDI DI BRESCIA (IT) 2026-05-19 — — US disclosed
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
EP-4192456-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS Universita' degli studi di Brescia (IT) 2023-06-14 — — EP disclosed
CN-113527186-B Asymmetric catalytic synthesis method of chiral alpha-azaarene tertiary carbon center compound 河南工业大学 2023-04-14 — — CN disclosed
WO-2022029151-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI BRESCIA (IT) 2022-02-10 — — WO disclosed
CN-113527186-A Asymmetric catalytic synthesis method of chiral alpha-azaarene tertiary carbon center compound 河南工业大学 2021-10-22 — — CN 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 (2 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-12629359-B2 Structural analogues of methylphenidate as Parkinson's disease-modifying agents SNCA, SYNJ1, PARK7 KMT2A 2279/4885MEN1 3531/4885NPC1 2280/4885
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS SNCA, PARK7, SYNJ1 KMT2A 911/4885MEN1 2110/4885NPC1 2264/4885

“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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