SCHEMBL6484526

SCHEMBL6484526

CCC(C)CCN(N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.36
TLR8 Q9NR97 1/20 0.35
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6491244 0.82 AOC3 (0.47) AOC3TLR8HTR2AHRH1SIGMAR1
SCHEMBL6490879 0.81 AOC3 (0.41) AOC3HTR2AHRH1SIGMAR1TP53
SCHEMBL6478184 0.81 RIPK1 (0.36) AOC3HTR2AHRH1CYP3A4CYP2C9
SCHEMBL6488668 0.79 AOC3 (0.41) AOC3TP53ALDH1A1KDM4EL3MBTL1
SCHEMBL28942753 0.77 ALDH1A1 (0.50) TLR8SIGMAR1TP53TSHRALDH1A1
SCHEMBL6477874 0.76 AOC3 (0.35) AOC3HTR2AHRH1SIGMAR1TP53
SCHEMBL6488055 0.76 L3MBTL1 (0.45) TSHRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL6485740 0.76 ESR1 (0.43) AOC3SIGMAR1TP53TSHRALDH1A1
SCHEMBL21731485 0.76 AOC3 (0.44) AOC3HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL490188 0.75 ALOX15 (0.36) SIGMAR1TP53TSHRALDH1A1GLA

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 1365/4885TLR8 4441/4885HTR2A 453/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP AOC3 1365/4885TLR8 4441/4885HTR2A 453/4885

“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.