SCHEMBL1178780

SCHEMBL1178780

O=C(NCCn1cncn1)c1cc(-c2cccs2)on1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.63
LMNA P02545 6/20 0.63
TSHR P16473 1/20 0.63
NPC1 O15118 8/20 0.63
KDM4E B2RXH2 3/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
HPGD P15428 3/20 0.61
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 4/20 0.54
ALDH1A1 P00352 3/20 0.53
PLEC Q15149 1/20 0.53
MAPT P10636 2/20 0.52
ESR1 P03372 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL1178450 0.94 RAB9A (0.69) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1178279 0.84 RAB9A (0.64) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL15190307 0.84 RAB9A (0.45) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1178783 0.82 RAB9A (0.68) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1178651 0.82 ALDH1A1 (0.63) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1179007 0.81 RAB9A (0.88) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1178425 0.81 RAB9A (0.63) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1179133 0.81 HDAC3 (0.48) RAB9ALMNANPC1KDM4EKMT2A
SCHEMBL9911645 0.80 RAB9A (0.77) RAB9ALMNATSHRNPC1KDM4E
SCHEMBL1477317 0.80 LMNA (0.45) RAB9ALMNATSHRNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US claimed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US claimed
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US 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-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US disclosed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 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-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO 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 (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-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS RAB9A 2717/4885LMNA 2579/4885TSHR 3365/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 RAB9A 2013/4885LMNA 2934/4885TSHR 3797/4885

“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.