SCHEMBL1685205

SCHEMBL1685205

CN(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CYP19A1 P11511 1/20 0.62
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
CA9 Q16790 1/20 0.54
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
CNR2 P34972 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
JAK2 O60674 1/20 0.52
ABL1 P00519 1/20 0.52
NTRK1 P04629 1/20 0.52
CSF1R P07333 1/20 0.52

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
SCHEMBL4661775 0.82 CA2 (0.76) CA1CA2CYP19A1MAPTCA9
SCHEMBL1685120 0.81 CA2 (0.68) CA1CA2CYP19A1TP53MAPT
SCHEMBL121841 0.81 CYP19A1 (0.80) CA1CA2CYP19A1MAPTCA9
SCHEMBL4911967 0.81 ALDH1A1 (0.70) CA1CA2CYP19A1GAACYP1A2
SCHEMBL4692707 0.77 ALDH1A1 (0.65) CA1CA2CYP19A1GAACYP1A2
SCHEMBL2496626 0.77 CYP19A1 (0.74) CA1CA2CYP19A1MAPTCA9
SCHEMBL218018 0.76 MAPT (0.78) CA1CA2MAPTCA9CYP1A2
SCHEMBL2027835 0.76 CA2 (0.60) CA1CA2CYP19A1MAPTCA9
SCHEMBL28684490 0.75 MAPT (0.66) CA1CA2MAPTCA9CYP1A2
Phosphine SCHEMBL30201038 0.75 MAPT (0.75) CA1CA2MAPTCA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 US disclosed
US-7951818-B2 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-05-31 US disclosed
EP-2099798-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-09-16 EP disclosed
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 US disclosed
WO-2008065199-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES COL2A1, MMP1, COL1A1 CA1 4842/4885CA2 4047/4885CYP19A1 4524/4885
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 CA1 4842/4885CA2 4047/4885CYP19A1 4524/4885

“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.