SCHEMBL1474970

SCHEMBL1474970

O=C(NCCNC(=S)Nc1ccccc1)c1cc(-c2cccs2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
NPC1 O15118 5/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 6/20 0.62
HPGD P15428 2/20 0.62
POLB P06746 2/20 0.58
KDM4E B2RXH2 5/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.54
PLEC Q15149 1/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL12751395 0.89 RAB9A (0.66) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL1475171 0.86 RAB9A (0.65) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL1474497 0.84 RAB9A (0.72) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL4282643 0.84 POLB (0.81) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL15190549 0.83 ALDH1A1 (0.47) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL9911645 0.81 RAB9A (0.77) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL4284349 0.81 RAB9A (0.78) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL20507264 0.80 RAB9A (0.72) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL1474548 0.80 RAB9A (0.62) RAB9ANPC1NPSR1MEN1KMT2A
SCHEMBL1474410 0.79 RAB9A (0.67) RAB9ANPC1NPSR1MEN1KMT2A

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-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
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.