SCHEMBL6316883

SCHEMBL6316883

COc1ccc(CNC(=O)c2c(-c3ccc(C)s3)noc2N)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAOB P27338 1/20 0.47
MAPT P10636 6/20 0.45
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
S1PR1 P21453 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 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
SCHEMBL6317463 0.91 MAOB (0.46) TSHRNPSR1ALDH1A1MAOBMAPT
SCHEMBL6315094 0.87 NPC1 (0.56) ALDH1A1MAOBHTTMEN1KMT2A
SCHEMBL6316680 0.86 MAPT (0.56) TSHRNPSR1ALDH1A1MAOBMAPT
SCHEMBL6316367 0.85 MAPT (0.52) TSHRALDH1A1MAPTRXFP1TP53
SCHEMBL6317559 0.83 NPSR1 (0.47) TSHRNPSR1ALDH1A1MAOBMAPT
SCHEMBL6324493 0.83 ADORA2A (0.49) TSHRNPSR1ALDH1A1MAOBMAPT
SCHEMBL6317710 0.83 KMT2A (0.47) ALDH1A1MAOBMAPTHTTMEN1
SCHEMBL6316978 0.83 TAS1R3 (0.52) TSHRNPSR1ALDH1A1MAOBMAPT
SCHEMBL6316160 0.82 MAOB (0.46) TSHRNPSR1ALDH1A1MAOBMAPT
SCHEMBL6318244 0.81 NPSR1 (0.47) TSHRNPSR1ALDH1A1MAOBMAPT

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 TSHR 3971/4885NPSR1 4399/4885ALDH1A1 4444/4885

“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.