SCHEMBL212993

SCHEMBL212993

CN(C(=O)NCc1cccc(F)c1Cl)C(CCCN1C(=O)c2ccccc2C1=O)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
ACHE P22303 6/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 1/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL212991 1.00 GRM5 (0.32) GRM5ACHELMNATSHRHTR1A
SCHEMBL212992 1.00 GRM5 (0.32) GRM5ACHELMNATSHRHTR1A
SCHEMBL211266 0.95 CTSK (0.34) ACHELMNATSHRHTR1APOLB
SCHEMBL2723959 0.92 LMNA (0.33) ACHELMNATSHRPOLBHTT
SCHEMBL211446 0.89 ABL1 (0.33) ABL1
SCHEMBL214138 0.89 ABL1 (0.33) ABL1
SCHEMBL211709 0.89 ABL1 (0.33) ABL1
SCHEMBL211710 0.89 ABL1 (0.33) ABL1
SCHEMBL213917 0.88 SMN1; SMN2 (0.42) ACHELMNATSHRPOLBSMN1; SMN2
SCHEMBL213918 0.88 SMN1; SMN2 (0.42) ACHELMNATSHRPOLBSMN1; SMN2

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 6 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-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 GRM5 1619/4885ACHE 98/4885LMNA 216/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GRM5 1619/4885ACHE 98/4885LMNA 216/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GRM5 1619/4885ACHE 98/4885LMNA 216/4885

“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.