SCHEMBL9498

SCHEMBL9498

COc1ccc(CNc2nc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3cc2CCC(=O)NCC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
POLB P06746 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
SCHEMBL17620323 0.88 BACE1 (0.45) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL13348 0.85 KMT2A (0.47) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL9686 0.81 BACE1 (0.55) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL14321942 0.80 BACE1 (0.49) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL14322028 0.75 BACE1 (0.60) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL14321923 0.74 BACE1 (0.49) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL14321711 0.74 BACE1 (0.45) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL9381 0.71 KMT2A (0.48) KMT2AMEN1BACE1ALDH1A1SMN1; SMN2
SCHEMBL11263 0.71 HIF1A (0.36) KMT2ABACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9661 0.69 ALDH1A1 (0.44) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP KMT2A 1441/4885MEN1 4400/4885BACE1 1/4885

“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.