SCHEMBL5070258

SCHEMBL5070258

COC(=O)c1ccc(C(N)C2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 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
SCHEMBL371247 0.94 EPHX1 (0.49) EPHX1ALDH1A1NPC1MAPTKDM4E
SCHEMBL371248 0.94 EPHX1 (0.49) EPHX1ALDH1A1NPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL987811 0.92 EPHX1 (0.48) EPHX1ALDH1A1NPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL14937476 0.92 EPHX1 (0.48) EPHX1ALDH1A1NPC1MAPTKDM4E
SCHEMBL11962616 0.86 DHODH (0.57) EPHX1ALDH1A1NPC1SMN1; SMN2EPHX2
SCHEMBL1765176 0.84 DHODH (0.60) EPHX1ALDH1A1NPC1SMN1; SMN2EPHX2
SCHEMBL11962618 0.83 DHODH (0.54) EPHX1ALDH1A1NPC1SMN1; SMN2EPHX2
SCHEMBL12326592 0.81 CYP1A2 (0.51) ALDH1A1NPC1MEN1KMT2ACYP2C19
SCHEMBL1765556 0.79 MAPT (0.50) EPHX1ALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL19332746 0.77 LMNA (0.54) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A

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-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
CN-1742013-A Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2006-03-01 CN disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 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 (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-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 EPHX1 2438/4885ALDH1A1 2470/4885NPC1 3105/4885

“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.