SCHEMBL2388902

SCHEMBL2388902

O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.43
PTPN1 P18031 1/20 0.41
MAPT P10636 5/20 0.41
SIRT6 Q8N6T7 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRB1 P08588 1/20 0.41
TSHR P16473 1/20 0.38
POLB P06746 2/20 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
SCHEMBL6098711 1.00 GBA1 (0.43) GBA1PTPN1MAPTSIRT6ALDH1A1
SCHEMBL5850115 0.77 GBA1 (0.37) GBA1MAPTALDH1A1POLB
SCHEMBL5653056 0.77 GAA (0.54) MAPTSIRT6ALDH1A1ADRB1POLB
SCHEMBL14367284 0.77 GAA (0.54) MAPTSIRT6ALDH1A1ADRB1POLB
SCHEMBL5652569 0.76 SIRT6 (0.48) MAPTSIRT6ALDH1A1TSHRPOLB
SCHEMBL28531773 0.76 ENPP2 (0.44) GBA1MAPT
SCHEMBL28525708 0.76 ENPP2 (0.44) GBA1MAPT
SCHEMBL223024 0.75 MAPT (0.47) GBA1MAPTSIRT6ALDH1A1ADRB1
SCHEMBL5653005 0.75 MAPT (0.47) GBA1MAPTSIRT6ALDH1A1ADRB1
SCHEMBL1092846 0.75 MAPT (0.47) GBA1MAPTSIRT6ALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 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 (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-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 GBA1 2488/4885PTPN1 1510/4885MAPT 855/4885

“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.