SCHEMBL4780378

SCHEMBL4780378

CN(CCOC(=O)Nc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
NQO2 P16083 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BCHE P06276 4/20 0.39
ACHE P22303 3/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL211493 0.88 NPC1 (0.46) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL2722189 0.86 RAB9A (0.52) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL4996564 0.86 SMN1; SMN2 (0.48) UTS2RSMN1; SMN2LMNAKDM4ENPC1
SCHEMBL4997027 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL2721468 0.83 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL2723462 0.83 NPC1 (0.50) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL210912 0.82 NPSR1 (0.46) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL211574 0.82 P2RX4 (0.47) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL211662 0.79 EPHX2 (0.42) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL9608122 0.79 NPC1 (0.43) UTS2RSMN1; SMN2LMNAKDM4ENPC1

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 UTS2R 1374/4885SMN1; SMN2 252/4885LMNA 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.