SCHEMBL1930141

SCHEMBL1930141

Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(N)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.60
HPGD P15428 4/20 0.60
MAPT P10636 4/20 0.60
GLA P06280 1/20 0.60
ALOX15 P16050 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
PTGS2 P35354 4/20 0.56
PTGS1 P23219 3/20 0.56
NPSR1 Q6W5P4 4/20 0.56
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
XBP1 P17861 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL1930084 0.92 L3MBTL1 (0.67) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL1930392 0.86 L3MBTL1 (0.62) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL1931147 0.86 L3MBTL1 (0.59) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL1930755 0.85 NPC1 (0.61) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL1930503 0.85 L3MBTL1 (0.55) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1928775 0.84 NPC1 (0.67) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL1930663 0.84 L3MBTL1 (0.57) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL5428698 0.84 PTGS2 (0.80) MAPTPTGS2PTGS1MT-CO2CA12
SCHEMBL14562098 0.84 PTGS2 (0.80) MAPTPTGS2PTGS1MT-CO2CA12
SCHEMBL1930507 0.83 NPC1 (0.65) NPC1RAB9AKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968972-B1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-28 EP claimed
US-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 US claimed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO claimed
EP-1968972-B1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-28 EP disclosed
US-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 US disclosed
US-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES BUETTELMANN BERND 2009-08-06 US disclosed
US-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 US disclosed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES GABRA5, GABRA4, GABRA3 NPC1 1684/4885RAB9A 2522/4885KMT2A 2612/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 NPC1 1684/4885RAB9A 2522/4885KMT2A 2612/4885

“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.