SCHEMBL6322628

SCHEMBL6322628

CCCCNC(=O)c1c(-c2ccccn2)noc1NC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6316902 0.89 MAPK14 (0.45) HTTSMN1; SMN2GAAHDAC1HDAC6
SCHEMBL6315466 0.88 NAAA (0.47) HTTSMN1; SMN2GAATSHRALOX12
SCHEMBL6323422 0.87 HTT (0.46) HTTSMN1; SMN2GAANPC1RAB9A
SCHEMBL6325190 0.86 HTT (0.46) HTTSMN1; SMN2GAAHDAC6TSHR
SCHEMBL6318626 0.85 SMN1; SMN2 (0.47) HTTSMN1; SMN2GAAHDAC1TSHR
SCHEMBL6324647 0.85 ADORA1 (0.41) NPC1TP53RAB9A
SCHEMBL6324666 0.84 GAA (0.42) HTTSMN1; SMN2GAAHDAC1HDAC6
SCHEMBL6323312 0.84 HDAC3 (0.47) HTTSMN1; SMN2GAATSHRNPC1
SCHEMBL6315406 0.84 RAB9A (0.41) NPC1TP53RAB9A
SCHEMBL6316498 0.83 GAA (0.43) HTTSMN1; SMN2GAATSHR

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 3 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
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed

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 HTT 2134/4885SMN1; SMN2 2766/4885GAA 789/4885

“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.