SCHEMBL4725957

SCHEMBL4725957

CCc1ccc(NC(=O)OCCN(C)C(=O)NCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.38
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4997027 0.92 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1BCHERAB9ANPC1
SCHEMBL4998950 0.86 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1BCHERAB9ANPC1
SCHEMBL4726803 0.85 BCHE (0.42) SMN1; SMN2L3MBTL1BCHERAB9ANPC1
SCHEMBL4996564 0.81 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1BCHERAB9ANPC1
SCHEMBL4725915 0.80 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4996421 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4998991 0.79 RAB9A (0.43) SMN1; SMN2L3MBTL1BCHERAB9ANPC1
SCHEMBL14092484 0.78 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4996521 0.78 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1BCHERAB9ANPC1
SCHEMBL2721972 0.78 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US disclosed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US disclosed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (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-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 SMN1; SMN2 252/4885L3MBTL1 4642/4885NPSR1 3598/4885

“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.