SCHEMBL13674082

SCHEMBL13674082

COc1ccc(O)c(-c2nc(NC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CYP1A2 P05177 8/20 0.43
▸ CYP2D6 P10635 7/20 0.43
▸ CYP3A4 P08684 7/20 0.43
▸ CYP2C19 P33261 7/20 0.43
▸ TSHR P16473 6/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ ALOX15 P16050 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL8222461 1.00 LMNA (0.44) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL4506771 0.91 EGFR (0.43) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL13674083 0.91 EGFR (0.43) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL4507295 0.82 EGFR (0.44) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL4509993 0.81 EGFR (0.43) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL4509909 0.81 EGFR (0.43) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL3908986 0.81 MEN1 (0.51) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL3908982 0.81 MEN1 (0.51) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL3908988 0.81 MEN1 (0.51) LMNAMEN1KMT2ARXFP1MAPT
SCHEMBL4512154 0.76 MEN1 (0.53) LMNAMEN1KMT2ARXFP1MAPT

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT LMNA 2132/4885MEN1 4237/4885KMT2A 230/4885

“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.

Send feedback