SCHEMBL6477874

SCHEMBL6477874

CSC(C)CCN(N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.35
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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 0.81 AOC3 (0.47) AOC3HTR2AHRH1MAOAALDH1A1
SCHEMBL6488668 0.78 AOC3 (0.41) AOC3ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL6484526 0.76 AOC3 (0.36) AOC3HTR2AHRH1ALDH1A1TP53
SCHEMBL21731485 0.74 AOC3 (0.44) AOC3HTR2AHRH1ALDH1A1SIGMAR1
SCHEMBL9717180 0.73 AOC3 (0.43) AOC3ALDH1A1SMN1; SMN2
SCHEMBL6478184 0.72 RIPK1 (0.36) AOC3HTR2AHRH1SMN1; SMN2
SCHEMBL6478269 0.70 AOC3 (0.40) AOC3ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL8773789 0.70 SIGMAR1 (0.39) AOC3HTR2AHRH1ALDH1A1LMNA
SCHEMBL6485740 0.70 ESR1 (0.43) AOC3ALDH1A1TP53SLC6A2SLC6A4
SCHEMBL9717165 0.69 AOC3 (0.45) AOC3ALDH1A1SLC6A2SLC6A4SLC6A3

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 1365/4885HTR2A 453/4885HRH1 484/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP AOC3 1365/4885HTR2A 453/4885HRH1 484/4885

“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.