SCHEMBL5561966

SCHEMBL5561966

CCOC(=O)Nc1ccc(CCl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
HPGD P15428 2/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RECQL P46063 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTT P42858 1/20 0.50
MTNR1B P49286 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
SCHEMBL7565510 0.87 RAB9A (0.71) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL940111 0.86 RAB9A (0.61) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL10205641 0.86 RAB9A (0.61) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL1936080 0.84 RAB9A (0.59) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL14349951 0.83 RAB9A (0.58) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL8112075 0.83 RAB9A (0.58) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL1187952 0.82 L3MBTL1 (0.77) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL1719720 0.82 SMN1; SMN2 (0.71) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL9146676 0.82 LMNA (0.68) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL11790359 0.82 RAB9A (0.65) RAB9ANPC1HPGDCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
CN-103958506-B 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH 诺华股份有限公司 2017-02-22 CN disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 RAB9A 3512/4885NPC1 2842/4885HPGD 3231/4885
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 RAB9A 2919/4885NPC1 972/4885HPGD 3176/4885

“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.