SCHEMBL6315448

SCHEMBL6315448

CCCC(=O)Nc1onc(-c2c(C)nn(-c3ccccc3)c2C)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.41
ESR2 Q92731 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
ABCB1 P08183 1/20 0.39
GFER P55789 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
SCHEMBL6317893 0.94 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAHTTPDE4D
SCHEMBL6316739 0.90 NPC1 (0.46) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL6315392 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHTTPDE4D
SCHEMBL6316563 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHTTPDE4D
SCHEMBL6322831 0.87 NPC1 (0.47) ALDH1A1SMN1; SMN2LMNAHTTPDE4D
SCHEMBL27591447 0.87 KDM4E (0.40) ALDH1A1SMN1; SMN2LMNAHTTPDE4D
SCHEMBL6316212 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL6316557 0.86 LMNA (0.50) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL6318309 0.86 PDE4D (0.40) ALDH1A1SMN1; SMN2LMNAHTTPDE4D
SCHEMBL6316971 0.85 TP53 (0.42) ALDH1A1SMN1; SMN2LMNAHTTPDE4D

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 2 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

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 2766/4885LMNA 3334/4885

“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.