SCHEMBL6316680

SCHEMBL6316680

COc1ccc(CNC(=O)c2c(-c3cccs3)noc2N)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
THRB P10828 1/20 0.56
POLB P06746 1/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.50
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6315227 0.89 HPGD (0.56) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL6316883 0.86 TSHR (0.48) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL6317559 0.84 NPSR1 (0.47) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL6318244 0.84 NPSR1 (0.47) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL6317463 0.84 MAOB (0.46) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL6316978 0.84 TAS1R3 (0.52) MAPTPOLBLMNAALDH1A1NPSR1
SCHEMBL6316160 0.83 MAOB (0.46) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL6322403 0.82 TAS1R3 (0.51) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6315693 0.81 TAS1R3 (0.50) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL6316658 0.81 TAS1R3 (0.53) MAPTKMT2AMEN1LMNAALDH1A1

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 4 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
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 MAPT 281/4885THRB 2605/4885POLB 872/4885

“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.