SCHEMBL6317893

SCHEMBL6317893

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SOAT2 O75908 2/20 0.41
SOAT1 P35610 2/20 0.41
PDE4D Q08499 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 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
SCHEMBL6315448 0.94 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2PDE4D
SCHEMBL6316739 0.89 NPC1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL6315392 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2PDE4D
SCHEMBL6316563 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2PDE4D
SCHEMBL6322831 0.86 NPC1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2PDE4D
SCHEMBL6316212 0.85 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL6318309 0.84 PDE4D (0.40) ALDH1A1LMNAHTTSMN1; SMN2PDE4D
SCHEMBL6316557 0.84 LMNA (0.50) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL6316971 0.84 TP53 (0.42) ALDH1A1LMNAHTTSMN1; SMN2PDE4D
SCHEMBL27591447 0.82 KDM4E (0.40) ALDH1A1LMNAHTTSMN1; SMN2PDE4D

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 7 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-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
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 (2 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 4444/4885LMNA 3334/4885HTT 2134/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 ALDH1A1 729/4885LMNA 2245/4885HTT 1624/4885

“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.