SCHEMBL9649

SCHEMBL9649

CC(C)(C)C(=O)Nc1cnc(Cl)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CETP P11597 1/20 0.36
KDR P35968 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
GCGR P47871 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL14327935 0.84 NPC1 (0.41) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL9939369 0.83 ATR (0.46)
SCHEMBL3708385 0.81 KCNQ3 (0.33) SMN1; SMN2RAB9ANPC1
SCHEMBL14005069 0.79 RAB9A (0.40) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL19787780 0.79 ATR (0.35) MEN1KMT2A
SCHEMBL27846675 0.78 RAB9A (0.39) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL16637667 0.77 RAB9A (0.40) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL19479769 0.76 KAT2B (0.33) KDM4EALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL17323697 0.76 KDM4E (0.39) KDM4EMITFALDH1A1HPGDKLF5
SCHEMBL9652 0.74 NPC1 (0.42) KDM4EMITFALDH1A1HPGDKLF5

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 12 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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
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
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 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
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
US-4536208-A Certain naphthyridine diether compounds and their herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-20 US disclosed
US-4533381-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-06 US disclosed
US-4472193-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1984-09-18 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP KDM4E 1816/4885MITF 4838/4885ALDH1A1 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.