SCHEMBL7076644

SCHEMBL7076644

N#Cc1cccc(NC2(C(=O)O)CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
USP2 O75604 2/20 0.45

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
SCHEMBL6989644 0.88 ALDH1A1 (0.51) HIF1AALDH1A1MAPTKMT2AMEN1
SCHEMBL6991463 0.86 TSHR (0.51) HIF1AALDH1A1MAPTKMT2AMEN1
SCHEMBL7083930 0.84 ALDH1A1 (0.51) HIF1AALDH1A1MAPTKMT2AMEN1
SCHEMBL7081753 0.83 LMNA (0.52) HIF1AALDH1A1MAPTKMT2AMEN1
SCHEMBL7087140 0.81 ALDH1A1 (0.42) HIF1AALDH1A1MAPTKMT2AMEN1
SCHEMBL7077236 0.78 MMP1 (0.52) HIF1AHTTCYP1A2CYP2D6SMN1; SMN2
SCHEMBL7082012 0.75 CYP2D6 (0.59) HIF1AALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL30666841 0.74 HTT (0.43) HIF1AALDH1A1MAPTKMT2AMEN1
SCHEMBL7080819 0.74 F10 (0.42) HIF1AALDH1A1MAPTKMT2AMEN1
Fluoride SCHEMBL11786822 0.74 MAPT (0.66) ALDH1A1MAPTKMT2AMEN1HTT

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
CN-1443160-A N-substituted-1-amino-1,1-dialkyl carboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-09-17 CN disclosed
US-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 HIF1A 351/4885ALDH1A1 1315/4885MAPT 4873/4885

“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.