SCHEMBL1474942

SCHEMBL1474942

O=C(NCCCn1ccnc1)c1cc(-c2cccc(O)c2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
LMNA P02545 7/20 0.81
NPC1 O15118 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
HTT P42858 2/20 0.81
HIF1A Q16665 2/20 0.81
ALDH1A1 P00352 2/20 0.72
GAA P10253 1/20 0.72
MAPK1 P28482 1/20 0.69
KDM4E B2RXH2 3/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
HSD17B10 Q99714 2/20 0.64
GLA P06280 1/20 0.64
MLLT1 Q03111 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL1179277 0.90 LMNA (1.00) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1179157 0.89 RAB9A (0.80) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1178087 0.89 RAB9A (0.80) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1178090 0.89 RAB9A (0.80) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1476641 0.89 LMNA (0.83) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1476364 0.87 LMNA (0.83) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL30087234 0.87 LMNA (0.83) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1474546 0.87 RAB9A (0.76) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1178656 0.87 LMNA (1.00) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1474399 0.86 LMNA (0.86) RAB9ALMNANPC1SMN1; SMN2HTT

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 6 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

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 2013/4885LMNA 2934/4885NPC1 2242/4885

“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.