SCHEMBL6695264

SCHEMBL6695264

NC(=O)c1c(C(=O)O)ccc2c1Cc1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP2C9 P11712 1/20 0.41
ACSL1 P33121 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
ALOX5 P09917 1/20 0.35
TRPA1 O75762 2/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL11795754 0.91 MAOA (0.47) MAOAMAOBCYP2C9ACSL1MAPKAPK2
SCHEMBL83906 0.90 MAOA (0.48) MAOAMAOBCYP2C9ACSL1MAPKAPK2
SCHEMBL9151406 0.82 MAOA (0.41) MAOAMAOBCYP2C9ACSL1MAPKAPK2
SCHEMBL8198726 0.80 MAOA (0.52) MAOAMAOBCYP2C9ACSL1MAPKAPK2
SCHEMBL5692 0.80 MAOA (0.52) MAOAMAOBCYP2C9ACSL1MAPKAPK2
SCHEMBL7554503 0.79 TRPA1 (0.50) MAOAMAOBCYP2C9MAPKAPK2TRPA1
Hydrochloric Acid SCHEMBL6864147 0.79 MAOA (0.50) MAOAMAOBCYP2C9ACSL1MAPKAPK2
Ammonia Solution, Strong SCHEMBL7709867 0.79 MAOA (0.50) MAOAMAOBCYP2C9ACSL1MAPKAPK2
Water SCHEMBL8596209 0.78 MAOA (0.48) MAOAMAOBCYP2C9ACSL1MAPKAPK2
Carbonotrithioic Acid SCHEMBL18320929 0.77 CYP2C9 (0.41) MAOAMAOBCYP2C9ACSL1MAPKAPK2

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 2 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 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 (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-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis ANXA5, XDH, TFEB MAOA 86/4885MAOB 99/4885CYP2C9 857/4885

“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.