SCHEMBL4096481

SCHEMBL4096481

O=Cc1n[nH]cc1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRIN2B Q13224 4/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
ATXN2 Q99700 1/20 0.44
USP30 Q70CQ3 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4100463 0.82 MEN1 (0.51) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4095586 0.81 ENPP2 (0.51) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8304333 0.77 SMN1; SMN2 (0.56) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9241437 0.77 SMN1; SMN2 (0.68) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL949568 0.75 MEN1 (0.54) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9239522 0.75 SMN1; SMN2 (0.65) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL22348034 0.75 SMN1; SMN2 (0.65) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27417332 0.75 SMN1; SMN2 (0.70) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6964208 0.75 KMT2A (0.65) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4101921 0.75 ENPP2 (0.49) ENPP2SMN1; SMN2NPC1RAB9AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
EP-1891048-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vernalis (R&D) Limited (GB) 2008-02-27 EP disclosed
WO-2006134318-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2006-12-21 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 ENPP2 1708/4885SMN1; SMN2 3412/4885NPC1 4104/4885

“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.