SCHEMBL11247

SCHEMBL11247

CCCC(OC)(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CES1 P23141 1/20 0.41
KCNN4 O15554 3/20 0.41
LMNA P02545 3/20 0.40
CYP2D6 P10635 3/20 0.40
SCN1A P35498 3/20 0.40
SCN2A Q99250 3/20 0.40
SCN3A Q9NY46 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL6529359 0.86 MAPT (0.48) KMT2AMAPTCES1KCNN4LMNA
SCHEMBL23256417 0.80 MAPT (0.46) KMT2AMAPTCES1KCNN4CYP2C19
SCHEMBL20293767 0.78 MAPT (0.47) KMT2AMAPTKCNN4LMNACYP2D6
SCHEMBL6179245 0.77 MAPT (0.40) KMT2AMAPTCYP2C9RAB9AKDM4E
SCHEMBL9667392 0.76 KIF11 (0.44) KMT2AMAPTCES1LMNACYP2D6
SCHEMBL5617129 0.76 KIF11 (0.44) KMT2AMAPTCES1LMNACYP2D6
SCHEMBL14639455 0.76 L3MBTL1 (0.37) MAPTCYP2C19CYP1A2CYP3A4TSHR
SCHEMBL3729771 0.76 LMNA (0.46) KMT2ACES1KCNN4LMNACYP2D6
SCHEMBL9295790 0.75 CHRM3 (0.59) KMT2AMAPTLMNACYP2D6SCN1A
SCHEMBL19205720 0.75 SCN5A (0.54) KMT2AMAPTKCNN4LMNACYP2D6

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 1441/4885MAPT 809/4885CES1 76/4885

“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.