SCHEMBL6317811

SCHEMBL6317811

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.48
MLLT1 Q03111 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MLLT3 P42568 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 2/20 0.44
S1PR1 P21453 1/20 0.42
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL6324636 0.99 TRPV1 (0.48) TRPV1MLLT1CYP1A2CYP2C19MLLT3
SCHEMBL6321455 0.99 TRPV1 (0.48) TRPV1MLLT1CYP1A2CYP2C19MLLT3
SCHEMBL6321840 0.98 TRPV1 (0.46) TRPV1MLLT1CYP1A2CYP2C19MLLT3
SCHEMBL6317770 0.89 TAS1R3 (0.53) CYP1A2CYP2C19HPGDKMT2ASMN1; SMN2
SCHEMBL6324482 0.86 CTSS (0.44) MLLT1CYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL6317385 0.86 NPC1 (0.61) TRPV1MLLT1MLLT3NPC1RAB9A
SCHEMBL6315890 0.85 MLLT1 (0.46) MLLT1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL6316754 0.85 NPC1 (0.62) TRPV1MLLT1MLLT3NPC1RAB9A
SCHEMBL6321193 0.85 NPC1 (0.62) TRPV1MLLT1MLLT3NPC1RAB9A
SCHEMBL6323933 0.84 RECQL (0.47) ALDH1A1TSHRSMN1; 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 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 TRPV1 4383/4885MLLT1 1316/4885CYP1A2 4402/4885

“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.