SCHEMBL5485430

SCHEMBL5485430

CN(C)SC1(SN(C)C)C=CC(C(=O)c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 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
SCHEMBL157513 0.80 RAB9A (0.38) RAB9AHTTNPC1HPGDMAPT
SCHEMBL7400357 0.78 TSHR (0.38) RAB9AHTTNPC1MAPTALOX15
SCHEMBL2470208 0.76 EPHX1 (0.43) HTTNPC1HPGDMAPTALOX15
SCHEMBL5190188 0.75 TSHR (0.38) RAB9AHTTNPC1HPGDMAPT
SCHEMBL5677227 0.75 CES2 (0.41) HTTNPC1MAPTALOX15HBB
SCHEMBL136598 0.74 MAPT (0.41) HTTHPGDMAPTALOX15HBB
SCHEMBL305024 0.74 ALDH1A1 (0.37) HPGDMAPTKMT2AALDH1A1POLB
SCHEMBL7420069 0.73 HTT (0.40) HTTNPC1MAPTALOX15HBB
SCHEMBL337965 0.73 TSHR (0.38) HTTNPC1HPGDMAPTALOX15
SCHEMBL9640021 0.73 CES1 (0.39) HTTNPC1MAPTALOX15HBB

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 RAB9A 3738/4885HTT 1315/4885NPC1 77/4885
US-20240109840-A1 METHOD FOR PRODUCING 2-(HALOGENATED METHYL)NAPHTHALENE AND 2-NAPHTHYL ACETONITRILE CYP1A1, CYP2E1, NPM1 RAB9A 3626/4885HTT 672/4885NPC1 482/4885
US-20070215455-A1 Isomerisation of pharmaceutical intermediates CYP24A1, CYP2R1, VDR RAB9A 4458/4885HTT 4626/4885NPC1 1796/4885

“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.