SCHEMBL9381

SCHEMBL9381

COc1ccc(CNc2nc3ccc(Br)cc3nc2CCC(=O)NCC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 5/20 0.44
POLB P06746 1/20 0.42
BACE1 P56817 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRK2 P25098 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14321942 0.88 BACE1 (0.49) KMT2AMEN1ALDH1A1POLBBACE1
SCHEMBL9548 0.82 FFAR1 (0.51) KMT2AMEN1NPC1RAB9A
SCHEMBL9286 0.82 EGFR (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL13348 0.79 KMT2A (0.47) KMT2AMEN1ALDH1A1POLBBACE1
SCHEMBL14322549 0.77 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL14322551 0.77 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL17620323 0.76 BACE1 (0.45) KMT2AMEN1ALDH1A1POLBBACE1
SCHEMBL14321923 0.76 BACE1 (0.49) KMT2AMEN1ALDH1A1POLBBACE1
SCHEMBL14322028 0.74 BACE1 (0.60) KMT2AMEN1ALDH1A1BACE1SMN1; SMN2
SCHEMBL14321711 0.73 BACE1 (0.45) KMT2AMEN1ALDH1A1BACE1NPC1

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 4400/4885ALDH1A1 1846/4885

“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.