SCHEMBL3975845

SCHEMBL3975845

O=C(Nc1ccncc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 3/20 0.58
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.46
NT5E P21589 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
TYK2 P29597 4/20 0.45
JAK2 O60674 3/20 0.45
JAK1 P23458 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KCNMA1 Q12791 2/20 0.44

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
SCHEMBL15116288 0.76 AVPR2 (0.58) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL3061025 0.75 ALDH1A1 (0.68) ALDH1A1MAPTNPSR1MAPK1KDM4E
SCHEMBL4673037 0.75 ALDH1A1 (0.68) ALDH1A1MAPTNPSR1MAPK1KMT2A
SCHEMBL6679959 0.75 ALDH1A1 (0.60) ALDH1A1MAPTNPSR1MAPK1KMT2A
SCHEMBL7318907 0.75 ORAI1 (0.61) ALDH1A1MAPTNPSR1MAPK1
SCHEMBL6157961 0.74 ALDH1A1 (0.71) ALDH1A1MAPTNPSR1MAPK1KMT2A
SCHEMBL6157959 0.74 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1MAPK1KDM4E
SCHEMBL12109904 0.72 ALDH1A1 (0.53) ALDH1A1MAPTNPSR1MAPK1KMT2A
SCHEMBL7381203 0.71 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1MAPK1KMT2A
SCHEMBL14339571 0.69 LMNA (0.62) ALDH1A1MAPTNPSR1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049421-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1-GANGLIOSIDOSIS/MORQUIO B DISEASE, AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO claimed
US-20220184185-A1 MRNA BASED ENZYME REPLACEMENT THERAPY COMBINED WITH A PHARMACOLOGICAL CHAPERONE FOR THE TREATMENT OF LYSOSOMAL STORAGE DISORDERS MODERNATX, INC. 2022-06-16 US disclosed
EP-2723384-B1 TREATMENT OF PROTEINOPATHIES MASSACHUSETTS GEN HOSPITAL (US) 2018-08-29 EP disclosed
US-9845327-B2 Treatment of proteinopathies THE GENERAL HOSPITAL CORPORATION (US) 2017-12-19 US disclosed
US-20140288093-A1 TREATMENT OF PROTEINOPATHIES THE GENERAL HOSPITAL CORPORATION (US) 2014-09-25 US disclosed
EP-2723384-A1 TREATMENT OF PROTEINOPATHIES The General Hospital Corporation (US) 2014-04-30 EP disclosed
WO-2012177997-A1 TREATMENT OF PROTEINOPATHIES THE GENERAL HOSPITAL CORPORATION (US) 2012-12-27 WO disclosed
WO-2009049421-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1-GANGLIOSIDOSIS/MORQUIO B DISEASE, AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009049422-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1 -GANGLIOSIDOSIS/MORQUIO B DISEASE. AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009049421-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1-GANGLIOSIDOSIS/MORQUIO B DISEASE, AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009049422-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1 -GANGLIOSIDOSIS/MORQUIO B DISEASE. AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 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 (2 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-20140288093-A1 TREATMENT OF PROTEINOPATHIES GAA, CTSA, GBA1 ALDH1A1 3814/4885MAPT 114/4885NPSR1 4009/4885
US-20220184185-A1 MRNA BASED ENZYME REPLACEMENT THERAPY COMBINED WITH A PHARMACOLOGICAL CHAPERONE FOR THE TREATMENT OF LYSOSOMAL STORAGE DISORDERS GAA, GBA1, GBA2 ALDH1A1 2142/4885MAPT 1644/4885NPSR1 3364/4885

“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.