SCHEMBL4883017

SCHEMBL4883017

COc1ccc([N+](=O)[O-])c(C=O)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.55
ADRA1D P25100 5/20 0.55
ADRA1A P35348 5/20 0.55
ADRA1B P35368 5/20 0.55
MAPT P10636 7/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
BCHE P06276 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3904800 0.91 NPC1 (0.50) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL3898843 0.90 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9315374 0.89 ALDH1A1 (0.44) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9315352 0.88 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9315348 0.88 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9315201 0.85 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL12151484 0.84 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL3970773 0.81 BCHE (0.50) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL3903540 0.81 PTPN1 (0.46) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL1318577 0.81 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1HPGD

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-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO disclosed
US-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN HTR1A 2130/4885ADRA1D 484/4885ADRA1A 535/4885

“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.