SCHEMBL5066571

SCHEMBL5066571

Cc1c(C=O)c2cc(F)ccc2n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 6/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AR P10275 1/20 0.40
MAOB P27338 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
SCHEMBL5694412 0.95 KMT2A (0.59) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5068228 0.89 KMT2A (0.50) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5068230 0.89 KMT2A (0.50) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5068238 0.87 NPC1 (0.62) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5694353 0.86 KMT2A (0.48) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5694430 0.82 NPC1 (0.56) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5070748 0.79 POLB (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5066629 0.77 MEN1 (0.50) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5066618 0.75 NPC1 (0.56) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5068271 0.75 NPC1 (0.47) KMT2AMEN1NPC1RAB9AL3MBTL1

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 KMT2A 538/4885MEN1 2305/4885NPC1 4052/4885
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents ESR1, ESR2, GPER1 KMT2A 538/4885MEN1 2305/4885NPC1 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.