SCHEMBL1474501

SCHEMBL1474501

O=C(NCCN1CCN(c2ncccc2C(F)(F)F)CC1)c1cc(-c2ccco2)on1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
SCD5 Q86SK9 2/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL1474416 0.87 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15190210 0.87 TRPA1 (0.42) GAA
SCHEMBL1474491 0.85 KDM4E (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1475249 0.85 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1474658 0.82 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1474960 0.80 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1477101 0.80 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1475081 0.79 SMN1; SMN2 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27176294 0.79 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1475232 0.79 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2242/4885ALDH1A1 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.