SCHEMBL3500356

SCHEMBL3500356

O=C(Cc1cccc2ccccc12)NN=Cc1ccc(O)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
POLB P06746 5/20 0.75
TRPM5 Q9NZQ8 1/20 0.69
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
DNM1 Q05193 2/20 0.55
ECE2 P0DPD6 1/20 0.55
ECE1 P42892 1/20 0.55
MUS81 Q96NY9 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 4/20 0.53
MEN1 O00255 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
NOX4 Q9NPH5 1/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 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
SCHEMBL3500390 1.00 MAPT (0.75) MAPTPOLBTRPM5LMNASMN1; SMN2
SCHEMBL15275439 0.83 MAPT (0.67) MAPTPOLBLMNASMN1; SMN2HTT
SCHEMBL3633031 0.82 TRPM5 (0.62) MAPTPOLBTRPM5LMNASMN1; SMN2
SCHEMBL3633028 0.82 TRPM5 (0.62) MAPTPOLBTRPM5LMNASMN1; SMN2
SCHEMBL31612234 0.82 TRPM5 (1.00) MAPTPOLBTRPM5SMN1; SMN2HTT
SCHEMBL3861202 0.82 TRPM5 (1.00) MAPTPOLBTRPM5SMN1; SMN2HTT
SCHEMBL3861198 0.82 TRPM5 (1.00) MAPTPOLBTRPM5SMN1; SMN2HTT
SCHEMBL14125518 0.81 MAPT (0.59) MAPTPOLBTRPM5LMNASMN1; SMN2
SCHEMBL14125517 0.81 MAPT (0.59) MAPTPOLBTRPM5LMNASMN1; SMN2
SCHEMBL3720562 0.80 ERCC1 (0.58) MAPTPOLBSMN1; SMN2HTTERCC1

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 9 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-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 claimed
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 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 MAPT 197/4885POLB 750/4885TRPM5 2334/4885

“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.