SCHEMBL1797967

SCHEMBL1797967

COCOc1cnccc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PTPN1 P18031 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
XDH P47989 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM6B O15054 2/20 0.35
KDM4A O75164 1/20 0.35
THRB P10828 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL24422794 0.83 HPGDS (0.39) KDM4EALDH1A1GLAGAALMNA
SCHEMBL24423691 0.83 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAALMNA
SCHEMBL459318 0.81 KDM4E (0.47) KDM4EALDH1A1GLAGAALMNA
Bromide SCHEMBL27690676 0.80 KDM4E (0.46) KDM4EALDH1A1GLAGAALMNA
SCHEMBL3339535 0.79 MEN1 (0.42) KDM4EALDH1A1GLAGAALMNA
SCHEMBL15132071 0.77 MAPT (0.55) LMNASMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL2047902 0.76 LMNA (0.64) KDM4EALDH1A1LMNASMN1; SMN2PTPN1
SCHEMBL24422792 0.76 CA12 (0.35) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL24422793 0.76 KDM6B (0.32) KDM4EALDH1A1GLAGAAKDM4C
SCHEMBL29582835 0.76 CA12 (0.35) KDM4EALDH1A1GLAGAAPOLB

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017033019-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (CNIO) (ES) 2017-03-02 WO disclosed
WO-2014141110-A2 AMINONITRILES AS KYNURENINE PATHWAY INHIBITORS CURADEV PHARMA PVT. LTD. (IN) 2014-09-18 WO disclosed
WO-2014141110-A2 AMINONITRILES AS KYNURENINE PATHWAY INHIBITORS CURADEV PHARMA PVT. LTD. (IN) 2014-09-18 WO disclosed
US-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
US-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
US-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
EP-2167471-B1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-16 EP disclosed
EP-2167471-B1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-16 EP disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO disclosed
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-02-05 US disclosed
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-02-05 US disclosed
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-02-05 US disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 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 (2 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP KDM4E 576/4885ALDH1A1 780/4885GLA 146/4885
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP KDM4E 495/4885ALDH1A1 649/4885GLA 122/4885

“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.