SCHEMBL2227459

SCHEMBL2227459

Cc1cccc(C(=O)N(C)C2CCCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
KMT2A Q03164 3/20 0.66
HPGD P15428 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.55
CNR2 P34972 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
S1PR1 P21453 1/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL14688547 0.98 POLB (0.64) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL22425347 0.92 POLB (0.56) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL9001768 0.91 POLB (0.62) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL3457039 0.85 ALDH1A1 (0.57) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL23839836 0.84 HSD11B1 (0.58) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL3457613 0.84 KMT2A (0.57) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL19881260 0.82 NPC1 (0.57) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL1001922 0.82 HPGD (0.62) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL14374144 0.82 HPGD (0.62) POLBKMT2AHPGDALDH1A1TSHR
SCHEMBL30804750 0.82 HPGD (0.50) POLBKMT2AHPGDALDH1A1TSHR

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-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B POLB 1570/4885KMT2A 1229/4885HPGD 2637/4885

“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.