SCHEMBL4336068

SCHEMBL4336068

Oc1cc(Cl)ccc1Sc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.43
HAO1 Q9UJM8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PDE7A Q13946 2/20 0.40
IDO1 P14902 2/20 0.40
PDE7B Q9NP56 1/20 0.38

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
SCHEMBL4337764 0.87 HSD17B10 (0.59) SLC6A9HAO1ALDH1A1HSD17B10CYP3A4
SCHEMBL11757879 0.81 SLC6A4 (0.51) SLC6A9HAO1PDE7AIDO1PDE7B
SCHEMBL28424052 0.81 PDE7A (0.54) ALDH1A1HSD17B10CYP3A4MEN1KMT2A
SCHEMBL29465671 0.81 PDE7A (0.54) ALDH1A1HSD17B10CYP3A4MEN1KMT2A
SCHEMBL4336372 0.81 HAO1 (0.39) SLC6A9HAO1ALOX15HTT
SCHEMBL4337657 0.80 SLC6A9 (0.43) SLC6A9HAO1ALDH1A1MEN1KMT2A
SCHEMBL11758399 0.79 SLC6A9 (0.47) SLC6A9ALDH1A1MEN1KMT2AHPGD
SCHEMBL11760048 0.78 SLC6A4 (0.43) SLC6A9HAO1PLA2G1BATG4BPDE7A
SCHEMBL11759128 0.77 SLC6A9 (0.43) SLC6A9HAO1ALDH1A1HSD17B10CYP3A4
SCHEMBL4335576 0.77 SLC6A9 (0.47) SLC6A9HAO1ALDH1A1HPGDPDE7A

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-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
CN-100439330-C Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives LUNDBECK & CO AS H (DK) 2008-12-03 CN disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
CN-1780815-A Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives LUNDBECK & CO AS H (DK) 2006-05-31 CN disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT SLC6A9 2305/4885HAO1 1672/4885ALDH1A1 425/4885

“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.