SCHEMBL6323933

SCHEMBL6323933

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NC1CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
TSHR P16473 1/20 0.46
PDE2A O00408 1/20 0.45
TAS1R3 Q7RTX0 6/20 0.45
TAS1R1 Q7RTX1 6/20 0.45
TAS1R2 Q8TE23 6/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFD P00746 2/20 0.43
DHODH Q02127 1/20 0.42
USP36 Q9P275 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6317913 0.95 MLLT3 (0.41) RECQLTSHRPDE2ATAS1R3TAS1R1
SCHEMBL6316210 0.88 TAS1R3 (0.54) RECQLTSHRTAS1R3TAS1R1TAS1R2
SCHEMBL6317811 0.84 TRPV1 (0.48) TSHRSMN1; SMN2ALDH1A1
SCHEMBL6321840 0.84 TRPV1 (0.46) ALDH1A1
SCHEMBL6321455 0.83 TRPV1 (0.48) ALDH1A1
SCHEMBL6324636 0.83 TRPV1 (0.48) ALDH1A1
SCHEMBL6315372 0.83 TAS1R3 (0.46) RECQLTSHRTAS1R3TAS1R1TAS1R2
SCHEMBL6322801 0.81 TAS1R3 (0.55) RECQLTSHRTAS1R3TAS1R1TAS1R2
SCHEMBL6317860 0.81 ALDH1A1 (0.60) RECQLTSHRTAS1R3TAS1R1TAS1R2
SCHEMBL6317770 0.80 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2SMN1; 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 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
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

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 RECQL 2512/4885TSHR 3971/4885PDE2A 1920/4885

“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.