SCHEMBL360712

SCHEMBL360712

O=CC(c1ccccc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.57
GOPC Q9HD26 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
KCNA5 P22460 7/20 0.50
KCNN4 O15554 3/20 0.50
KDM4E B2RXH2 1/20 0.46
TBXAS1 P24557 2/20 0.43
KCNH2 Q12809 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6502611 0.86 POLB (0.51) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6503338 0.86 CYP19A1 (0.62) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6505294 0.86 ALDH1A1 (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6498870 0.82 ALDH1A1 (0.49) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6505968 0.82 CYP3A4 (0.49) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6498908 0.82 KMT2A (0.46) SMN1; SMN2KDM4ECYP19A1ALDH1A1
SCHEMBL1515763 0.82 SLC6A3 (0.58) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL7492214 0.82 MAPK1 (0.54)
SCHEMBL6501548 0.81 CFTR (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL193931 0.81 CYP2D6 (0.48) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592934-A1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2012009227-A1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-01-19 WO disclosed
EP-2370413-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-10-05 EP disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed
WO-2010077275-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 EP 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 CFTR 3911/4885GOPC 3002/4885SLC6A2 4327/4885

“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.