SCHEMBL210445

SCHEMBL210445

COC(=O)c1ccc2cc(NC(=O)OCCN(NCc3cccc(F)c3Cl)C(C)=O)ncc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.35
NPC1 O15118 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
BDKRB1 P46663 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PLAU P00749 1/20 0.31
TP53 P04637 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
SCHEMBL212461 0.97 MAPK1 (0.34) ABL1NPC1CASP1RAB9AL3MBTL1
SCHEMBL4353736 0.90 NOTUM (0.37) ABL1RAB9AKDM4EALDH1A1LMNA
SCHEMBL210417 0.89 ABL1 (0.38) ABL1NPC1RAB9A
SCHEMBL209682 0.87 MAPT (0.34) KDM4EALDH1A1HPGDMAPT
SCHEMBL210446 0.86 ABL1 (0.35) ABL1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL210121 0.86 ABL1 (0.34) ABL1NPC1RAB9AALDH1A1MAPT
SCHEMBL212462 0.83 MAPK1 (0.35) ABL1RAB9AALDH1A1LMNAMAPT
SCHEMBL210117 0.82 JAK3 (0.37)
SCHEMBL8512982 0.82 CYSLTR1 (0.32) MTNR1AMTNR1B
SCHEMBL8509850 0.79 P2RX4 (0.30)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
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-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-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 ABL1 956/4885NPC1 4684/4885CASP1 4765/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885NPC1 4684/4885CASP1 4765/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885NPC1 4684/4885CASP1 4765/4885

“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.