SCHEMBL1205487

SCHEMBL1205487

COc1ccc(NC(=O)Nc2cccc(CCN(C(=O)O)C(C)(C)C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
HIF1A Q16665 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
STAT1 P42224 1/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
FPR2 P25090 2/20 0.47
BMP1 P13497 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1205463 0.90 HTR1A (0.48) TP53TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL1206047 0.87 CNR1 (0.49) KMT2AMEN1CNR1
SCHEMBL1204539 0.85 IDH1 (0.48) RAB9AMAPTHIF1ALMNAHTT
SCHEMBL1029848 0.81 AOC3 (0.55) KMT2AMEN1
SCHEMBL1205369 0.81 KDR (0.49) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1206206 0.80 KMT2A (0.58) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1206218 0.80 ANO1 (0.51) RAB9ANPC1SMN1; SMN2MAPTHIF1A
SCHEMBL1204773 0.79 TP53 (0.66) TP53TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL1204549 0.79 IDH2 (0.45) LMNAKMT2AMEN1KDM4EGAA
SCHEMBL2826530 0.78 FPR2 (0.65) TP53TSHRRAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-02-03 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-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C TP53 4518/4885TSHR 348/4885RAB9A 2538/4885

“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.