SCHEMBL5066629

SCHEMBL5066629

Cc1c(C=O)c2ccccc2n1-c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ERN1 O75460 1/20 0.43
HTT P42858 1/20 0.43
PTGER1 P34995 6/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL5066623 0.89 RAB9A (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5066622 0.89 RAB9A (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14319934 0.83 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5068238 0.82 NPC1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5694430 0.77 NPC1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5068704 0.77 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5066571 0.77 KMT2A (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5069111 0.75 MRGPRX4 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27503015 0.74 MAPT (0.41) MAPTL3MBTL1ERN1PTGER1MRGPRX4
SCHEMBL5694412 0.73 KMT2A (0.59) MEN1KMT2ANPC1RAB9ASMN1; 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 MEN1 2305/4885KMT2A 538/4885NPC1 4052/4885
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents ESR1, ESR2, GPER1 MEN1 2305/4885KMT2A 538/4885NPC1 4052/4885

“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.