SCHEMBL1476776

SCHEMBL1476776

O=C(NCc1ccncc1)Nc1cc(-c2cccs2)on1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 3/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 3/20 0.56
PLEC Q15149 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
ESR1 P03372 1/20 0.53
HTT P42858 2/20 0.50
NAMPT P43490 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL1474889 0.89 RAB9A (0.73) RAB9ANPC1NPSR1TP53KMT2A
SCHEMBL1474912 0.84 SMN1; SMN2 (0.54) RAB9ANPC1NPSR1KMT2AMEN1
SCHEMBL1474434 0.83 HTT (0.59) RAB9AKMT2ASMN1; SMN2HTTNAMPT
SCHEMBL9911605 0.83 RAB9A (0.84) RAB9ANPC1NPSR1TP53KMT2A
SCHEMBL1474947 0.81 ALDH1A1 (0.57) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL4284442 0.74 RAB9A (1.00) RAB9ANPC1NPSR1TP53KMT2A
SCHEMBL1179175 0.74 SMN1; SMN2 (0.69) RAB9ANPC1NPSR1TP53KMT2A
SCHEMBL11621065 0.72 NAMPT (0.70) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL4290049 0.71 MEN1 (1.00) RAB9ANPC1NPSR1TP53KMT2A
SCHEMBL1474978 0.71 ALDH1A1 (0.70) RAB9ANPC1TP53KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 RAB9A 2013/4885NPC1 2242/4885NPSR1 2911/4885

“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.