SCHEMBL6477702

SCHEMBL6477702

CCCCCCN(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
KCNH2 Q12809 6/20 0.47
TACR1 P25103 1/20 0.42
AOC3 Q16853 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CNR2 P34972 1/20 0.38

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
SCHEMBL6477185 1.00 NPC1 (0.50) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL6484775 1.00 NPC1 (0.50) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL6488829 1.00 NPC1 (0.50) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL6487469 1.00 NPC1 (0.50) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL253120 0.98 NPC1 (0.47) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL449304 0.92 ESR1 (0.46) NPC1JAK2RAB9APAX8KCNH2
Hydrochloric Acid SCHEMBL4056298 0.90 ESR1 (0.45) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL9717165 0.87 AOC3 (0.45) KCNH2AOC3SIGMAR1OPRM1DRD3
SCHEMBL6563182 0.86 SOAT2 (0.41) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL6563180 0.86 SOAT2 (0.41) NPC1JAK2RAB9APAX8KCNH2

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 NPC1 3808/4885JAK2 3087/4885RAB9A 2314/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP NPC1 3808/4885JAK2 3087/4885RAB9A 2314/4885

“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.