SCHEMBL6315890

SCHEMBL6315890

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.46
HIF1A Q16665 1/20 0.44
PTGER4 P35408 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRD4 O60885 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GABRA5 P31644 1/20 0.41
SLC9A1 P19634 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
CHRNA7 P36544 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6324482 0.95 CTSS (0.44) MLLT1HIF1APTGER4CYP1A2CYP2C19
SCHEMBL6323890 0.89 HPGD (0.49) CYP1A2CYP2C19ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6317335 0.86 MLYCD (0.46) CYP1A2CYP2C19SLC9A1ALDH1A1KDM4E
SCHEMBL6316487 0.86 GABRA5 (0.49) MLLT1HIF1AGABRA5NPSR1
SCHEMBL6317320 0.85 CYP1A2 (0.49) CYP1A2CYP2C19BRD4HDAC4SLC9A1
SCHEMBL6317464 0.85 HPGD (0.46) CYP1A2CYP2C19SLC9A1ALDH1A1KDM4E
SCHEMBL6317811 0.85 TRPV1 (0.48) MLLT1CYP1A2CYP2C19BRD4ALDH1A1
SCHEMBL6318314 0.85 TACR1 (0.45) CYP1A2CYP2C19SLC9A1ALDH1A1KDM4E
SCHEMBL6317678 0.85 CYP1A2 (0.47) CYP1A2CYP2C19SLC9A1ALDH1A1KDM4E
SCHEMBL6321840 0.85 TRPV1 (0.46) MLLT1CYP1A2CYP2C19BRD4SLC9A1

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 3 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 MLLT1 1316/4885HIF1A 3267/4885PTGER4 3611/4885

“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.