SCHEMBL1474920

SCHEMBL1474920

O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)on1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.74
▸ RAB9A P51151 9/20 0.74
▸ ALDH1A1 P00352 8/20 0.74
▸ SMN1; SMN2 Q16637 8/20 0.74
▸ HTT P42858 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ LMNA P02545 2/20 0.64
▸ HPGD P15428 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ FAAH O00519 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.50
▸ TSHR P16473 1/20 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
SCHEMBL1474866 0.85 ALDH1A1 (0.82) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1474855 0.85 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1474843 0.84 NPC1 (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1475563 0.84 ALDH1A1 (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1474675 0.84 ALDH1A1 (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1476447 0.84 ALDH1A1 (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1474503 0.84 ALDH1A1 (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL15190063 0.84 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1474660 0.84 ALDH1A1 (0.83) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1178320 0.83 ALDH1A1 (0.82) NPC1RAB9AALDH1A1SMN1; 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 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.

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