SCHEMBL759027

SCHEMBL759027

CNc1nc(C(=O)O)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
ALDH1A1 P00352 2/20 1.00
MAPK1 P28482 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.53
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 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
SCHEMBL17501810 0.84 KDM4E (0.71) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL25722605 0.76 SMN1; SMN2 (0.65) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL12490124 0.75 SMN1; SMN2 (0.63) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL12293371 0.74 POLB (0.62) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL13312207 0.73 KDM4E (0.69) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6240207 0.72 MAPK1 (0.63) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5453917 0.71 PIK3CB (0.58) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL27681005 0.71 ALDH1A1 (0.63) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9619171 0.71 SMN1; SMN2 (0.57) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10418857 0.70 SMN1; SMN2 (0.56) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2

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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 KDM4E 3676/4885L3MBTL1 3574/4885ALDH1A1 89/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 KDM4E 3676/4885L3MBTL1 3574/4885ALDH1A1 89/4885

“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.