SCHEMBL1930375

SCHEMBL1930375

COc1cc(NC(C)=O)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TSHR P16473 5/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK14 Q16539 1/20 0.46
▸ GABRA5 P31644 1/20 0.45
▸ PTGS2 P35354 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43

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
SCHEMBL1930363 0.90 NPC1 (0.50) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL1929911 0.88 MAPK1 (0.50) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL3862847 0.87 L3MBTL1 (0.53) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL1929051 0.87 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL1930896 0.86 L3MBTL1 (0.44) ALDH1A1L3MBTL1ALOX12TSHRSMN1; SMN2
SCHEMBL1930420 0.85 L3MBTL1 (0.49) ALDH1A1L3MBTL1TSHRRAB9APTGS2
SCHEMBL1928761 0.83 L3MBTL1 (0.57) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL3862704 0.83 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL1930472 0.83 L3MBTL1 (0.47) ALDH1A1L3MBTL1TSHRPTGS2KDM4E
SCHEMBL1930641 0.82 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRNPC1RAB9A

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 7 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-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
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 — — US 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 ALDH1A1 310/4885L3MBTL1 3503/4885ALOX12 1720/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 ALDH1A1 310/4885L3MBTL1 3503/4885ALOX12 1720/4885

“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.

Send feedback