SCHEMBL2192222

SCHEMBL2192222

CC(C)(C)N(C(=O)O)c1cccc(Oc2ccc([N+](=O)[O-])c(N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
F10 P00742 1/20 0.35
NPY5R Q15761 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
PDGFRB P09619 1/20 0.35
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2192220 1.00 MAPT (0.44) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL2194654 0.85 AKR1B10 (0.40) MAPTMAPK1KDM4EFFAR1MEN1
SCHEMBL2194648 0.85 AKR1B10 (0.40) MAPTMAPK1KDM4EFFAR1MEN1
SCHEMBL2194318 0.85 NR4A1 (0.45) MAPTALDH1A1FFAR1MEN1KMT2A
SCHEMBL30166999 0.81 MAPT (0.52) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL3510820 0.79 KDM4E (0.39) MAPTALDH1A1LMNAKDM4EFFAR1
SCHEMBL3510825 0.79 KDM4E (0.39) MAPTALDH1A1LMNAKDM4EFFAR1
SCHEMBL2194186 0.77 HDAC2 (0.38)
SCHEMBL11712839 0.77 MAPT (0.52) MAPTALDH1A1LMNAMAPK1KDM4E
SCHEMBL7807114 0.76 MAPT (0.58) MAPTALDH1A1LMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MAPT 3535/4885ALDH1A1 1157/4885LMNA 4143/4885

“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.