SCHEMBL16675994

SCHEMBL16675994

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nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GNPAT O15228 1/20 0.41
TGFBR1 P36897 1/20 0.36
ECE1 P42892 1/20 0.35
LMNA P02545 1/20 0.35
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
GRN P28799 1/20 0.34

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
SCHEMBL16708422 0.86 KDM4E (0.41) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8582124 0.85 SMN1; SMN2 (0.41) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL25928849 0.84 ACE (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8582123 0.82 KDM4E (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL20100669 0.81 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
N-Acetylaspartic Acid SCHEMBL848463 0.79 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
N-Acetylaspartic Acid SCHEMBL37946 0.79 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13322047 0.79 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
N-Acetylaspartic Acid SCHEMBL163861 0.79 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
N-Acetylaspartic Acid SCHEMBL31119891 0.79 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 US disclosed
US-9580383-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-02-28 US disclosed
US-9499526-B2 Compositions and methods for the treatment of neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 US disclosed
US-9498461-B2 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 US disclosed
US-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT ALAPATI MOHAN MURALI (IN) 2016-11-17 US disclosed
US-9333187-B1 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-05-10 US disclosed
US-20160122291-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-9303038-B2 Compositions and methods for the treatment of epilepsy and neurological diseases CELLIX BIO PRIVATE LIMITED (IN) 2016-04-05 US disclosed
US-9227974-B2 Compositions and methods for the treatment of respiratory disorders CELLEX BIO PRIVATE LIMITED (IN) 2016-01-05 US disclosed
US-9187427-B2 N-substituted nicotinamide compounds and compositions for the treatment migraine and neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2015-11-17 US disclosed
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES CELLIX BIO PRIVATE LTD (IN) 2015-10-15 US disclosed
US-9102649-B1 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2015-08-11 US disclosed
US-20150218136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGIC DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2015-08-06 US disclosed
US-20150152060-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT MIGRAINE AND NEUROLOGIC DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2015-06-04 US disclosed
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS CELLIX BIO PRIVATE LTD (IN) 2015-05-28 US disclosed
US-20150133407-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-05-14 US disclosed
US-20150119424-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGICAL DISEASES KANDULA MAHESH (IN) 2015-04-30 US disclosed
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-04-17 US 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 (11 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-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI MAPT 431/4885KDM4E 4703/4885THRB 2512/4885
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES KYNU, TKT, SLC5A1 MAPT 337/4885KDM4E 1692/4885THRB 1592/4885
US-20150119424-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGICAL DISEASES SLC6A11, SCN1A, PSEN1 MAPT 34/4885KDM4E 3923/4885THRB 1000/4885
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS KCNH1, TNNT2, TNNC1 MAPT 782/4885KDM4E 4882/4885THRB 1243/4885
US-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT SLC14A1, UMPS, UGT1A3 MAPT 599/4885KDM4E 3071/4885THRB 3033/4885
US-20160122291-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, SI, AQP4 MAPT 58/4885KDM4E 4683/4885THRB 3647/4885
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS ACHE, ABCC5, ABCC2 MAPT 955/4885KDM4E 2596/4885THRB 4771/4885
US-20150218136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGIC DISEASES PYGB, PSEN1, SI MAPT 5/4885KDM4E 4494/4885THRB 1446/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI MAPT 431/4885KDM4E 4703/4885THRB 2512/4885
US-20150133407-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS SORD, MUC1, CFTR MAPT 1246/4885KDM4E 4727/4885THRB 1977/4885
US-20150152060-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT MIGRAINE AND NEUROLOGIC DISEASES PSEN1, APP, PSEN2 MAPT 6/4885KDM4E 4823/4885THRB 2852/4885

“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.