SCHEMBL4050841

SCHEMBL4050841

CC(C)(C)[C@H](N)c1nnc(NC(N)=O)o1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAF1 P04049 1/20 0.30

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
SCHEMBL13689120 1.00 EPHX2 (0.38) EPHX2PKMKDM4EL3MBTL1RAF1
Hydrochloric Acid SCHEMBL1218441 0.98 EPHX2 (0.37) EPHX2PKMKDM4EL3MBTL1
SCHEMBL13688986 0.81 ALDH1A1 (0.42) EPHX2KDM4EL3MBTL1
SCHEMBL12898783 0.81 ALDH1A1 (0.42) EPHX2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL1215813 0.80 ALDH1A1 (0.41) EPHX2KDM4EL3MBTL1
SCHEMBL1218374 0.79 EPHX2 (0.33) EPHX2KDM4EL3MBTL1
SCHEMBL1218951 0.76 EPHX2 (0.31) EPHX2
SCHEMBL12884853 0.75 KMT2A (0.44) L3MBTL1
SCHEMBL13689033 0.75 KMT2A (0.44) L3MBTL1
SCHEMBL12884857 0.75 PKM (0.36) PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 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-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 EPHX2 1046/4885PKM 3544/4885KDM4E 2463/4885

“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.