Sugi Predict

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SCHEMBL1345643

SCHEMBL1345643

CC(C)c1ccc(-c2nnn(CCC(=O)NCc3ccccc3Cl)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.60
▸ USP2 O75604 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CASP3 P42574 2/20 0.60
▸ SENP8 Q96LD8 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ MAPT P10636 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL1345644 0.86 HTT (0.51) TP53USP2CYP1A2CYP2C9CASP3
SCHEMBL1344380 0.82 TP53 (0.47) TP53USP2CYP1A2CYP2C9CASP3
SCHEMBL1346660 0.76 SMN1; SMN2 (0.68) TP53USP2CYP1A2CYP2C9MAPT
SCHEMBL1344227 0.76 MAPT (0.48) TP53CASP3SENP8MAPTGAA
SCHEMBL1345781 0.75 TP53 (0.47) TP53USP2CYP1A2CYP2C9CASP3
SCHEMBL4799195 0.75 TP53 (0.78) TP53USP2CYP1A2CYP2C9CASP3
SCHEMBL1345922 0.75 MAPT (0.46) TP53USP2CYP1A2CYP2C9CASP3
SCHEMBL1344186 0.73 HPGD (0.49) TP53CASP3SENP8MAPTRAB9A
SCHEMBL1344134 0.72 MAPT (0.49) TP53CASP3SENP8MAPTGAA
SCHEMBL1345980 0.72 LMNA (0.51) TP53USP2CYP1A2CYP2C9CASP3

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-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 — — US 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-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 2206/4885USP2 2522/4885CYP1A2 1639/4885

“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.