SCHEMBL3501795

SCHEMBL3501795

C=[N+](NC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
POLB P06746 4/20 0.53
ALDH1A1 P00352 3/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 11/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MME P08473 1/20 0.39
AR P10275 1/20 0.38
HPGD P15428 4/20 0.38

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 0.77 KDM4E (0.71) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL3501797 0.77 KDM4E (0.71) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL26450025 0.71 MAPT (0.64) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL570055 0.69 MAPT (1.00) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL17742689 0.68 MAPT (0.75) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL18555711 0.66 MAPT (0.75) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL16841241 0.66 ALDH1A1 (0.65) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL17773163 0.65 MAPT (0.69) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL1430060 0.65 POLB (0.64) KDM4EPOLBALDH1A1RECQLTDP1
SCHEMBL569756 0.64 DRD3 (0.54) KDM4EPOLBALDH1A1RECQLTDP1

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 2386/4885POLB 750/4885ALDH1A1 856/4885

“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.