SCHEMBL3030726

SCHEMBL3030726

CCCCCC([S])c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
HPGD P15428 2/20 0.44
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
CASR P41180 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
NFKB1 P19838 1/20 0.40
STAT1 P42224 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FBP1 P09467 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL21013849 0.82 LOXL2 (0.61) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL27940631 0.82 LOXL2 (0.50) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL18924692 0.82 LOXL2 (0.61) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21291322 0.82 LOXL2 (0.50) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL27921995 0.81 LOXL2 (0.49) LOXL2HPGDRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL10646476 0.80 LOXL2 (0.48) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL7035745 0.80 HPGD (0.46) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL22919771 0.79 LOXL2 (0.65) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4884951 0.78 LOXL2 (0.55) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL13982831 0.76 LOXL2 (0.57) LOXL2HPGDRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA LOXL2 2145/4885HPGD 269/4885RAB9A 2623/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 LOXL2 1687/4885HPGD 731/4885RAB9A 3137/4885

“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.