SCHEMBL6319309

SCHEMBL6319309

Nc1onc(-c2ccco2)c1C(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SOAT1 P35610 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCR3 P51677 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR3 P29371 3/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL6321635 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL6316282 0.84 CA1 (0.50) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6317577 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6318055 0.83 ADORA2A (0.50) ALDH1A1HTTNPC1RAB9AL3MBTL1
SCHEMBL6324342 0.80 HPGDS (0.46) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6323227 0.80 KMT2A (0.60) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL6316308 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL6321748 0.80 TACR3 (0.42) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6318320 0.80 EPHX2 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6318126 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885SMN1; SMN2 2766/4885HTT 2134/4885

“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.