SCHEMBL8533986

SCHEMBL8533986

O=[N+]([O-])c1ccccc1C=CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CTSB P07858 1/20 0.47
SOS1 Q07889 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL8533983 1.00 MAPT (0.51) MAPTPKMALDH1A1RAB9ANPC1
SCHEMBL6194046 0.87 ALDH1A1 (0.62) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL8533307 0.87 ALDH1A1 (0.62) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL30603181 0.87 ALDH1A1 (0.62) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL8534470 0.86 ALDH1A1 (0.65) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL8534466 0.86 ALDH1A1 (0.65) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL28323294 0.84 MAPT (0.54) MAPTPKMALDH1A1RAB9ANPC1
SCHEMBL10848892 0.81 MAPT (0.39) MAPTPKMALDH1A1TDP1SMN1; SMN2
SCHEMBL28103719 0.79 MAPT (0.46) MAPTPKMALDH1A1TDP1SMN1; SMN2
SCHEMBL28103380 0.77 MAPT (0.46) MAPTPKMALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US claimed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP claimed
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
EP-0430001-B1 Process for preparing benzaldehydes BAYER AG (DE) 1993-12-22 EP disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed
US-5082976-A PROCESS FOR THE PREPARATION OF BENZALDEHYDES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US 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 (1 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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 MAPT 4418/4885PKM 3629/4885ALDH1A1 1797/4885

“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.