SCHEMBL6691064

SCHEMBL6691064

O=C(O)Nc1ccccc1CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
Fluoride SCHEMBL11747092 0.98 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1POLBKMT2A
SCHEMBL10562641 0.84 GAA (0.48) ALDH1A1HPGDL3MBTL1POLBCYP1A2
SCHEMBL948318 0.83 MAPT (0.59) ALDH1A1HPGDL3MBTL1POLBKMT2A
SCHEMBL4622869 0.83 L3MBTL1 (0.56) ALDH1A1HPGDL3MBTL1POLBKMT2A
SCHEMBL7997788 0.83 ALDH1A1 (0.44) ALDH1A1HPGDPOLBHDAC3HDAC4
SCHEMBL8654405 0.83 KCNK3 (0.57) HPGDPOLBKMT2ATP53CYP1A2
SCHEMBL10896420 0.82 ALDH1A1 (0.56) ALDH1A1HPGDL3MBTL1POLBKMT2A
SCHEMBL4172605 0.82 L3MBTL1 (0.70) ALDH1A1HPGDL3MBTL1POLBKMT2A
SCHEMBL6475322 0.82 ALDH1A1 (0.55) ALDH1A1HPGDL3MBTL1POLBHTT
SCHEMBL11747084 0.82 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1POLBKMT2A

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-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis NORTHEASTERN UNIVERSITY 2004-03-18 US claimed
WO-2002055512-A1 XANTHENE DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2002-07-18 WO claimed
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed
US-9527812-B2 N-heterocyclic carbene-catalyzed synthesis of 2-aryl indoles NORTHWESTERN UNIVERSITY (US) 2016-12-27 US disclosed
US-20150315143-A1 N-Heterocyclic Carbene-Catalyzed Synthesis of 2-Aryl Indoles NORTHWESTERN UNIVERSITY 2015-11-05 US disclosed
US-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis NORTHEASTERN UNIVERSITY 2004-03-18 US disclosed
US-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect BAYER AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
WO-2002055512-A1 XANTHENE DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2002-07-18 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 (3 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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect CBR3, CBR1, CYP1B1 ALDH1A1 267/4885HPGD 3427/4885L3MBTL1 288/4885
US-20150315143-A1 N-Heterocyclic Carbene-Catalyzed Synthesis of 2-Aryl Indoles IDO2, IDO1, TPH2 ALDH1A1 1598/4885HPGD 647/4885L3MBTL1 3966/4885
US-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis ANXA5, XDH, TFEB ALDH1A1 2790/4885HPGD 472/4885L3MBTL1 3357/4885

“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.