SCHEMBL1346799

SCHEMBL1346799

CC(C)c1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccc(Cl)cc3Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.40
LTA4H P09960 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
P2RX7 Q99572 5/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1346798 0.91 TP53 (0.45) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1344380 0.89 TP53 (0.47) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1346801 0.87 LMNA (0.44) TP53GAAMAPTALDH1A1HTT
SCHEMBL1345922 0.85 MAPT (0.46) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1344134 0.83 MAPT (0.49) TP53GAAMAPTCASP3SENP8
SCHEMBL1345980 0.83 LMNA (0.51) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1346175 0.82 RIPK1 (0.50) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1346806 0.81 TP53 (0.53) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1345740 0.80 MEN1 (0.51) TP53GAAMAPTUSP2CYP1A2
SCHEMBL1345781 0.80 TP53 (0.47) TP53GAAMAPTUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US claimed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US disclosed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US disclosed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US 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-20080132548-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 TP53 2206/4885GAA 346/4885MAPT 530/4885

“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.