SCHEMBL4662759

SCHEMBL4662759

O=C(O)C(=O)Cc1c[nH]c2ccccc12.[PbH2]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.97
KMT2A Q03164 7/20 0.97
MAPT P10636 6/20 0.97
KDM4E B2RXH2 4/20 0.97
SMN1; SMN2 Q16637 3/20 0.97
ALDH1A1 P00352 2/20 0.97
HPGD P15428 1/20 0.97
SLC6A2 P23975 1/20 0.74
FNTA P49354 1/20 0.74
FNTB P49356 1/20 0.74
LMNA P02545 3/20 0.60
PKM P14618 1/20 0.57
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MPO P05164 1/20 0.55

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
SCHEMBL27763159 0.98 MEN1 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL29362070 0.98 MEN1 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL125249 0.98 MEN1 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL9494228 0.97 MEN1 (0.97) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL18582291 0.97 MEN1 (0.97) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Lactic Acid SCHEMBL27789008 0.88 MAPT (0.81) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL4620881 0.88 MAPT (0.81) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Kurasoin B SCHEMBL29489947 0.85 SLC6A2 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Dl-Tryptophan SCHEMBL2174790 0.85 KDM4E (0.82) MEN1KMT2AMAPTKDM4ESMN1; SMN2
D-Tryptophan SCHEMBL2176030 0.85 KDM4E (0.82) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501503-B1 SUBSTANTIALLY PURE SOLID FORM OF THE ENOL TAUTOMER OF 3-INDOLYPYRUVIC ACID FOR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISTURBANCES POLIFARMA SPA (IT) 2008-12-24 EP disclosed
US-20050208125-A1 Substantially pure solid form of the enol tautomer of 3-indolypyruvic acid for use in the treatmetn of central nervous system disturbances POLIFARMA S.P.A. (IT) 2005-09-22 US disclosed
EP-1501503-A1 SUBSTANTIALLY PURE SOLID FORM OF THE ENOL TAUTOMER OF 3-INDOLYPYRUVIC ACID FOR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISTURBANCES POLIFARMA S.p.A. (IT) 2005-02-02 EP disclosed
WO-2003094914-A1 SUBSTANTIALLY PURE SOLID FORM OF THE ENOL TAUTOMER OF 3-INDOLYLPYRUVIC ACID FOR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISTURBANCES POLIFARMA S.P.A. (IT) 2003-11-20 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-20050208125-A1 Substantially pure solid form of the enol tautomer of 3-indolypyruvic acid for use in the treatmetn of central nervous system disturbances NLN, PYGB, MAPT MEN1 1207/4885KMT2A 2020/4885MAPT 3/4885

“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.