SCHEMBL2389846

SCHEMBL2389846

COC(=O)[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MMP2 P08253 2/20 0.50
ANPEP P15144 1/20 0.50
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 1/20 0.40

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
SCHEMBL1568023 1.00 MAPT (0.53) MAPTMMP2ANPEPALDH1A1SMN1; SMN2
SCHEMBL5653777 0.86 MAPT (0.56) MAPTALDH1A1SMN1; SMN2RXFP1GAA
SCHEMBL5653056 0.84 GAA (0.54) MAPTMMP2ALDH1A1GAA
SCHEMBL14367284 0.84 GAA (0.54) MAPTMMP2ALDH1A1GAA
SCHEMBL3885054 0.78 MAPT (0.61) MAPTMMP2ANPEPALDH1A1SMN1; SMN2
SCHEMBL28547111 0.78 MMP2 (0.45) MAPTMMP2ANPEPALDH1A1SMN1; SMN2
SCHEMBL28543125 0.78 MMP2 (0.45) MAPTMMP2ANPEPALDH1A1SMN1; SMN2
SCHEMBL28543121 0.78 MMP2 (0.45) MAPTMMP2ANPEPALDH1A1SMN1; SMN2
SCHEMBL7968279 0.78 GAA (0.43) MAPTMMP2ANPEPALDH1A1GAA
SCHEMBL7985048 0.78 GAA (0.43) MAPTMMP2ANPEPALDH1A1GAA

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-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
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 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-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 MAPT 855/4885MMP2 2953/4885ANPEP 3516/4885

“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.