SCHEMBL1914539

SCHEMBL1914539

COCCNc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
RAB9A P51151 4/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 2/20 0.60
NPC1 O15118 3/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 3/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
LMNA P02545 3/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL21350016 0.85 TYR (0.58) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1916446 0.83 LMNA (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1914499 0.83 ATP4A (0.51) ALDH1A1RAB9AHTTMAPTNPC1
SCHEMBL12066366 0.82 NPC1 (0.52) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1915273 0.82 LMNA (0.60) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL16340752 0.81 RAB9A (0.66) ALDH1A1RAB9AHTTMAPTNPC1
SCHEMBL24107454 0.80 LMNA (0.60) ALDH1A1RAB9AHTTMAPTNPC1
SCHEMBL46369 0.80 GSTO1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL38117 0.79 GSTO1 (0.58) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL1916147 0.78 ATP4A (0.49) ALDH1A1RAB9AHTTMAPTNPC1

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
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ALDH1A1 623/4885RAB9A 1681/4885HTT 1481/4885

“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.