SCHEMBL1474658

SCHEMBL1474658

O=C(NCCN1CCN(c2ccccn2)CC1)c1cc(-c2ccco2)on1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
DRD3 P35462 3/20 0.54
HTR1A P08908 2/20 0.54
HTR2A P28223 2/20 0.54
DRD2 P14416 2/20 0.54
DRD4 P21917 1/20 0.54
HTR2C P28335 1/20 0.54
KMT2A Q03164 1/20 0.52
SLC6A4 P31645 2/20 0.52
DRD1 P21728 1/20 0.50

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
SCHEMBL1475249 0.89 RAB9A (0.58) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1474960 0.86 ALDH1A1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15190209 0.85 DRD4 (0.49) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL1474416 0.84 ALDH1A1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1477101 0.84 RAB9A (0.67) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL27176294 0.84 RAB9A (0.67) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1475232 0.83 RAB9A (0.65) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1474501 0.82 RAB9A (0.50) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1474491 0.82 KDM4E (0.56) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1475081 0.82 SMN1; SMN2 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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 NPC1 2242/4885RAB9A 2013/4885ALDH1A1 706/4885

“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.