SCHEMBL209975

SCHEMBL209975

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCCO)COC(=O)Nc1cc(-c2ccccc2Cl)on1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 6/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 2/20 0.31
HCRTR1 O43613 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9608298 0.95 MAPT (0.37) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL211535 0.90 HIF1A (0.38) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL209734 0.89 CYP1A2 (0.37) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL211538 0.89 TP53 (0.38) MAPTHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL210038 0.88 KDM4E (0.38) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL211805 0.87 MAOB (0.33) MAPTALDH1A1MEN1KMT2A
SCHEMBL9608180 0.84 CYP1A2 (0.36) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL9608347 0.84 TP53 (0.32) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4350864 0.82 SCD5 (0.35) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL210987 0.82 FOLH1 (0.36) MAPTALDH1A1CYP1A2CYP2C19CYP2C9

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 MAPT 530/4885HPGD 1528/4885NPY1R 3558/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885HPGD 1528/4885NPY1R 3558/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885HPGD 1528/4885NPY1R 3558/4885

“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.