SCHEMBL7214602

SCHEMBL7214602

Nc1ccccc1N(C=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 3/20 0.39
MAPT P10636 7/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL7217171 0.86 PTPN1 (0.41) PTPN1ALDH1A1MAPTNPC1RAB9A
SCHEMBL9715426 0.73 CYP3A4 (0.35) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL6226289 0.71 MAPK13 (0.35) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL6228555 0.71 TDP1 (0.36) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL25541795 0.69 ADRA2A (0.49) PTPN1ALDH1A1NPC1RAB9AMEN1
SCHEMBL7220722 0.68 PTGS1 (0.40) ALDH1A1MAPTRAB9AMEN1LMNA
SCHEMBL7060898 0.64 PTPN1 (1.00) PTPN1ALDH1A1TSHR
SCHEMBL30149972 0.63 CD44 (0.36) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL657415 0.63 CD274 (0.54) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL30149971 0.63 CD44 (0.36) ALDH1A1MAPTNPC1RAB9ALMNA

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-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US disclosed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 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-20020111364-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 PTPN1 4240/4885ALDH1A1 399/4885MAPT 4100/4885

“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.