SCHEMBL6477129

SCHEMBL6477129

CCC(CC)CN(N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
TRPA1 O75762 1/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6478164 0.86 ALDH1A1 (0.47) AOC3ALDH1A1TDP1KDM4ECYP3A4
SCHEMBL6490879 0.82 AOC3 (0.41) AOC3ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL4946334 0.78 AOC3 (0.50) AOC3ALDH1A1HTR2AHRH1LMNA
SCHEMBL2126003 0.75 ALDH1A1 (0.46) AOC3ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL6487412 0.75 AOC3 (0.40) AOC3ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL6487531 0.73 AOC3 (0.66) AOC3TDP1TRPA1HTR2AHRH1
Hydrochloric Acid SCHEMBL3130345 0.73 ALDH1A1 (0.45) AOC3ALDH1A1TDP1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL28088635 0.73 ALDH1A1 (0.45) AOC3ALDH1A1TDP1KDM4ECYP1A2
Water SCHEMBL27137011 0.73 ALDH1A1 (0.45) AOC3ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL6485740 0.71 ESR1 (0.43) AOC3ALDH1A1TDP1KDM4ECYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 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 (2 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-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP AOC3 1365/4885ALDH1A1 583/4885TDP1 3859/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP AOC3 1365/4885ALDH1A1 583/4885TDP1 3859/4885

“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.