SCHEMBL961569

SCHEMBL961569

COc1ccc(CCNc2nccc(-c3cccc(NC(=O)CCN(C(=O)O)C(C)(C)C)c3)n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
TP53 P04637 2/20 0.44
MAP2K7 O14733 1/20 0.44
LMNA P02545 3/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PTGDR Q13258 1/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABL1 P00519 2/20 0.41

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
SCHEMBL962081 0.96 MAPT (0.48) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL959846 0.95 MAPT (0.48) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL3403401 0.89 MAPT (0.53) MAPTMEN1ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL3404464 0.88 MAPT (0.53) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL958227 0.87 MAPT (0.54) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL12947826 0.87 MAPT (0.56) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL957877 0.86 MAPT (0.52) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL3402478 0.86 MAPT (0.53) MAPTMEN1ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL960658 0.86 MAPT (0.55) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL960344 0.85 MAPT (0.48) MAPTMEN1ALDH1A1MAPK1KMT2A

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 MAPT 4154/4885MEN1 4161/4885ALDH1A1 2384/4885

“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.