SCHEMBL6317899

SCHEMBL6317899

NC(=O)c1c(-c2cccs2)noc1NC(=O)CCC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 3/20 0.49
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL6315733 0.83 ALDH1A1 (0.49) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL6317371 0.82 ALDH1A1 (0.43) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL6318423 0.82 POLB (0.55) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL6317632 0.82 ADORA2A (0.53) KMT2AMEN1HPGDHDAC1HDAC2
SCHEMBL6315274 0.81 ADORA2A (0.46) KMT2AMEN1HDAC1HDAC2ALDH1A1
SCHEMBL6318380 0.80 ALDH1A1 (0.55) KMT2AMEN1HPGDHDAC1POLB
SCHEMBL6321734 0.79 ALDH1A1 (0.53) KMT2AMEN1HPGDHDAC1HDAC2
SCHEMBL6317017 0.79 KDM4E (0.52) KMT2AHPGDHDAC3HDAC1HDAC2
SCHEMBL6316137 0.78 ALDH1A1 (0.41) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL6318751 0.77 HPGD (0.53) KMT2AMEN1HPGDPOLBALDH1A1

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-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
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 KMT2A 1089/4885MEN1 2789/4885HPGD 2923/4885

“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.