SCHEMBL1475690

SCHEMBL1475690

O=C(NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(-c2ccco2)on1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 5/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
SCD5 Q86SK9 1/20 0.49
DRD4 P21917 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL1474960 0.88 ALDH1A1 (0.64) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1476629 0.87 ALDH1A1 (0.62) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1476638 0.87 ALDH1A1 (0.60) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1475081 0.87 SMN1; SMN2 (0.60) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1475255 0.85 ALDH1A1 (0.62) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1474506 0.82 ALDH1A1 (0.58) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1477101 0.82 RAB9A (0.67) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1474419 0.82 LMNA (0.72) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL27176294 0.81 RAB9A (0.67) RAB9AALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1477057 0.81 ALDH1A1 (0.64) RAB9AALDH1A1LMNANPC1SMN1; SMN2

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 2013/4885ALDH1A1 706/4885LMNA 2934/4885

“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.