SCHEMBL5485432

SCHEMBL5485432

CN(C)C1(N(C)C)C=CC(C(=S)c2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.30
HIF1A Q16665 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL157514 0.81 HPGD (0.41) ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL8601696 0.80 RAB9A (0.44) MAPTHPGD
SCHEMBL8488417 0.78 ALDH1A1 (0.31) ALDH1A1MAPTHSP90AA1
SCHEMBL27910084 0.78 ALDH1A1 (0.31) ALDH1A1MAPTHSP90AA1
SCHEMBL7400361 0.77 NPC1 (0.33) ALDH1A1MAPT
SCHEMBL28401610 0.75 LMNA (0.35) MAPTMEN1HPGDKMT2A
SCHEMBL28864489 0.74
SCHEMBL8639915 0.72 ALDH1A1 (0.39) ALDH1A1MEN1HPGDKMT2A
SCHEMBL305025 0.70 ALDH1A1 (0.40) ALDH1A1MEN1HPGDKMT2A
SCHEMBL9652775 0.68 ALDH1A1 (0.35) ALDH1A1MEN1HPGDKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844010-B1 ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES LEO PHARMA AS (DK) 2013-02-13 EP claimed
EP-1844010-A1 ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES LEO PHARMA A/S (DK) 2007-10-17 EP claimed
US-20070215455-A1 Isomerisation of pharmaceutical intermediates LEO PHARMA A/S (DK) 2007-09-20 US claimed
WO-2007082533-A1 ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES LEO PHARMA A/S (DK) 2007-07-26 WO claimed
US-12637417-B2 Method for producing 2-(halogenated methyl)naphthalene and 2-naphthyl acetonitrile UBE CORPORATION (JP) 2026-05-26 US disclosed
US-20240109840-A1 METHOD FOR PRODUCING 2-(HALOGENATED METHYL)NAPHTHALENE AND 2-NAPHTHYL ACETONITRILE API CORPORATION (JP) 2024-04-04 US disclosed
EP-4174049-A1 METHOD FOR PRODUCING 2-(HALOGENATED METHYL)NAPHTHALENE AND 2-NAPHTHYL ACETONITRILE API Corporation (JP) 2023-05-03 EP disclosed
EP-1844010-B1 ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES LEO PHARMA AS (DK) 2013-02-13 EP disclosed
EP-1844010-A1 ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES LEO PHARMA A/S (DK) 2007-10-17 EP disclosed
US-20070215455-A1 Isomerisation of pharmaceutical intermediates LEO PHARMA A/S (DK) 2007-09-20 US disclosed
WO-2007082533-A1 ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES LEO PHARMA A/S (DK) 2007-07-26 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 (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-12637417-B2 Method for producing 2-(halogenated methyl)naphthalene and 2-naphthyl acetonitrile CYP1A1, NAT1, CYP1A2 ALDH1A1 640/4885MAPT 1202/4885HSP90AA1 3855/4885
US-20240109840-A1 METHOD FOR PRODUCING 2-(HALOGENATED METHYL)NAPHTHALENE AND 2-NAPHTHYL ACETONITRILE CYP1A1, CYP2E1, NPM1 ALDH1A1 1386/4885MAPT 3000/4885HSP90AA1 3199/4885
US-20070215455-A1 Isomerisation of pharmaceutical intermediates CYP24A1, CYP2R1, VDR ALDH1A1 532/4885MAPT 3554/4885HSP90AA1 4853/4885

“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.