SCHEMBL4933534

SCHEMBL4933534

COC(=O)c1cc(-c2ccc(OC)nn2)n(-c2cccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
MARS1 P56192 3/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
FYN P06241 1/20 0.36
RPA1 P27694 1/20 0.36
GRM1 Q13255 3/20 0.36

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
SCHEMBL4931612 0.90 MARS1 (0.51) NFE2L2MARS1MEN1KMT2ASLC16A3
SCHEMBL4926726 0.89 ALDH1A1 (0.41) NFE2L2MARS1CNR1CNR2ALDH1A1
SCHEMBL5529669 0.87 CNR1 (0.50) NFE2L2MARS1CNR1CNR2MEN1
SCHEMBL4933639 0.84 FYN (0.48) MARS1SLC16A3SLC16A1MAPK1SMN1; SMN2
SCHEMBL4923262 0.83 CYP3A4 (0.44) NFE2L2MARS1CNR1CNR2ALDH1A1
SCHEMBL4932389 0.82 MGLL (0.49) MEN1KMT2ASMN1; SMN2PTGS2MGLL
SCHEMBL14563991 0.82 NPC1 (0.40) NFE2L2ALDH1A1SLC16A3SLC16A1FYN
SCHEMBL2919388 0.81 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2PTGS2FAAH
SCHEMBL5162928 0.81 ALDH1A1 (0.38) MARS1ALDH1A1PTGS2MGLLGRM1
SCHEMBL31130418 0.78 SLC16A3 (0.61) MARS1SLC16A3SLC16A1MAPK1PTGS2

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-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 NFE2L2 2680/4885MARS1 760/4885CNR1 44/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 NFE2L2 1332/4885MARS1 2982/4885CNR1 76/4885

“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.