SCHEMBL3285681

SCHEMBL3285681

COc1ccc(Nc2cccc3[nH]c(=O)n(C)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MAPK1 P28482 2/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 4/20 0.51
PTK6 Q13882 1/20 0.47
APP P05067 1/20 0.47
RAB9A P51151 5/20 0.47
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 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
SCHEMBL3285589 0.85 MEN1 (0.52) MAPTNPC1RECQLMEN1KMT2A
SCHEMBL3285095 0.82 TUBB4A (0.39) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL2085819 0.75 ADORA3 (0.45) MAPTMAPK1KDM4EGAANPC1
SCHEMBL13015476 0.73 CYP19A1 (0.47) MAPTHSD17B10KDM4EGAARAB9A
SCHEMBL25122976 0.73 MEN1 (0.51) SMN1; SMN2MEN1KMT2AHTTLMNA
SCHEMBL2084332 0.72 NPSR1 (0.50) MAPTMAPK1KDM4ERAB9AALDH1A1
SCHEMBL5956570 0.71 ERCC1 (0.48) MAPTHSD17B10KDM4EGAAALDH1A1
SCHEMBL3285641 0.70 HTR1A (0.44) MAPK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL1921461 0.70 RAB9A (0.72) MAPTMAPK1ALOX12HSD17B10KDM4E
SCHEMBL28738068 0.70 LMNA (0.45) MAPTKDM4EGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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 (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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 MAPT 4339/4885MAPK1 739/4885ALOX12 2749/4885

“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.