SCHEMBL1915686

SCHEMBL1915686

Clc1ccc(-c2csc(NC3CC3)n2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.52
MAOB P27338 8/20 0.46
MAOA P21397 7/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
AMY1A P0DUB6 1/20 0.43
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
EGFR P00533 1/20 0.39
RORC P51449 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1916064 0.91 TYR (0.50) TYRMAOBMAOANPC1RAB9A
SCHEMBL1915688 0.84 PKM (0.56) TYRMAOBMAOANPC1RAB9A
SCHEMBL1916312 0.81 NPC1 (0.56) TYRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL1915360 0.81 NPC1 (0.59) MAOBMAOANPC1RAB9ALMNA
SCHEMBL1916307 0.75 NPC1 (0.56) TYRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL1916036 0.74 PKM (0.44) TYRMAOBMAOAAMY1APKM
SCHEMBL1915062 0.74 TYR (0.49) TYRMAOBMAOANPC1RAB9A
SCHEMBL1914994 0.73 FFAR2 (0.48) TYRMAOBMAOALMNAMAPK1
SCHEMBL1915728 0.72 NPC1 (0.59) MAOBMAOANPC1RAB9ALMNA
SCHEMBL1916803 0.72 CYP1B1 (0.43) TYRMAOBMAOAPKM

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
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
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 TYR 1007/4885MAOB 583/4885MAOA 1107/4885

“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.