SCHEMBL6419699

SCHEMBL6419699

COc1ccc(C(=O)N2c3ccccc3C(n3c4ccccc4c4ccccc43)CC2CCCCC(=O)NCCC(=O)O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.39
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
P2RY1 P47900 1/20 0.38
CES2 O00748 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6420265 0.93 GAA (0.40) TP53POLBHTTMCL1P2RY1
SCHEMBL6420125 0.92 MCL1 (0.43) POLBMCL1P2RY1MAPTKMT2A
SCHEMBL6419684 0.92 TP53 (0.37) TP53POLBHTTMCL1P2RY1
SCHEMBL6421823 0.90 MCL1 (0.41) TP53POLBHTTMCL1P2RY1
SCHEMBL6419648 0.86 MCL1 (0.41) POLBMCL1P2RY1MAPTKMT2A
SCHEMBL6420083 0.85 MCL1 (0.43) MCL1P2RY1MAPTKMT2A
SCHEMBL6420214 0.85 MCL1 (0.41) POLBHTTMCL1P2RY1SMN1; SMN2
SCHEMBL6421449 0.83 MCL1 (0.42) MCL1P2RY1MAPTKMT2A
SCHEMBL6647217 0.82 MCL1 (0.41) MCL1P2RY1SMN1; SMN2MAPTKMT2A
SCHEMBL6420042 0.82 P2RY1 (0.49) POLBP2RY1KMT2AGAA

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-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 EP 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-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 TP53 766/4885POLB 4822/4885HTT 64/4885

“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.