SCHEMBL6315372

SCHEMBL6315372

Nc1onc(-c2ccc(-c3cccc(Cl)c3)o2)c1C(=O)NC1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.46
TAS1R1 Q7RTX1 5/20 0.46
TAS1R2 Q8TE23 4/20 0.46
KMT2A Q03164 2/20 0.43
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
RAB9A P51151 3/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
FADS1 O60427 1/20 0.40
CNR1 P21554 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL6316210 0.95 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6317913 0.87 MLLT3 (0.41) TAS1R3TAS1R1TAS1R2KMT2AMLLT3
SCHEMBL6323374 0.86 CA1 (0.49) TAS1R3TAS1R1TAS1R2KMT2AMLLT3
SCHEMBL6318467 0.83 NPC1 (0.59) KMT2AMLLT3MLLT1RAB9ANPC1
SCHEMBL6317385 0.83 NPC1 (0.61) KMT2AMLLT3MLLT1RAB9ANPC1
SCHEMBL6323161 0.83 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2MLLT3MLLT1
SCHEMBL6323933 0.83 RECQL (0.47) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6321193 0.82 NPC1 (0.62) KMT2AMLLT3MLLT1RAB9ANPC1
SCHEMBL6316754 0.82 NPC1 (0.62) KMT2AMLLT3MLLT1RAB9ANPC1
SCHEMBL6322801 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2RECQLTSHR

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 TAS1R3 4289/4885TAS1R1 4258/4885TAS1R2 4472/4885

“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.