SCHEMBL5068274

SCHEMBL5068274

Cc1c(C=NO)c2ccccc2n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PKM P14618 2/20 0.45
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MAOB P27338 5/20 0.42
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5068271 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5068230 0.87 KMT2A (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5068228 0.87 KMT2A (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5068238 0.87 NPC1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5694353 0.85 KMT2A (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5066623 0.83 RAB9A (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5066622 0.83 RAB9A (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5694430 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14319936 0.82 TSHR (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5070842 0.81 TSHR (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP disclosed
US-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents WYETH (US) 2007-10-25 US disclosed
US-7250440-B2 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2007-07-31 US disclosed
CN-1867329-A (4-hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivative as estrogenic agents WYETH CORP (US) 2006-11-22 CN disclosed
EP-1653947-A1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS Wyeth Holdings Corporation (US) 2006-05-10 EP disclosed
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2005-03-17 US disclosed
WO-2005018636-A1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVE AS ESTROGENIC AGENTS WYETH (US) 2005-03-03 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-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents ESR1, ESR2, GPER1 NPC1 4052/4885RAB9A 3691/4885MEN1 2305/4885
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents ESR1, ESR2, GPER1 NPC1 4052/4885RAB9A 3691/4885MEN1 2305/4885

“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.