SCHEMBL3501797

SCHEMBL3501797

COc1cccc(C=NNC(=O)c2cc(-c3ccco3)[nH]n2)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.71
TDP1 Q9NUW8 4/20 0.71
POLB P06746 4/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
RECQL P46063 2/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPT P10636 11/20 0.64
HTT P42858 7/20 0.56
PKM P14618 2/20 0.56
TP53 P04637 3/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALPL P05186 1/20 0.54
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53

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
SCHEMBL3501792 1.00 KDM4E (0.71) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL18175041 0.84 TP53 (0.70) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL3501795 0.77 KDM4E (0.53) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL28284552 0.72 KMT2A (0.78) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL13549800 0.72 TP53 (0.72) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL12387936 0.72 KDM4E (0.71) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL21211444 0.72 KDM4E (0.71) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL683795 0.72 MAPT (0.86) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL13617293 0.72 MAPT (0.86) KDM4ETDP1POLBL3MBTL1RECQL
SCHEMBL5809414 0.71 KMT2A (0.80) KDM4ETDP1POLBL3MBTL1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609649-B2 Compositions and methods for the diagnosis, treatment, and prevention of amyotrophic lateral sclerosis and related neurological diseases BRANDEIS UNIVERSITY (US) 2013-12-17 US claimed
US-20100152125-A1 Compositions And Methods For The Diagnosis, Treatment, And Prevention Of Amyotrophic Lateral Sclerosis And Related Neurological Diseases BRANDEIS UNIVERSITY (US) 2010-06-17 US claimed
EP-3085367-A2 COMPOSITIONS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED Brandeis University (US) 2016-10-26 EP disclosed
US-8609649-B2 Compositions and methods for the diagnosis, treatment, and prevention of amyotrophic lateral sclerosis and related neurological diseases BRANDEIS UNIVERSITY (US) 2013-12-17 US disclosed
US-20100152125-A1 Compositions And Methods For The Diagnosis, Treatment, And Prevention Of Amyotrophic Lateral Sclerosis And Related Neurological Diseases BRANDEIS UNIVERSITY (US) 2010-06-17 US disclosed
EP-2139460-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED NEUROLOGICAL DISEASES Brandeis University (US) 2010-01-06 EP disclosed
WO-2008116092-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED NEUROLOGICAL DISEASES BRANDEIS UNIVERSITY (US) 2008-09-25 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-20100152125-A1 Compositions And Methods For The Diagnosis, Treatment, And Prevention Of Amyotrophic Lateral Sclerosis And Related Neurological Diseases SOD1, SOD3, AGER KDM4E 2386/4885TDP1 433/4885POLB 750/4885

“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.